Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T88975 | Target Info | |||
| Target Name | Phosphodiesterase 3A (PDE3A) | ||||
| Synonyms |
cGMP-inhibited 3',5'-cyclic phosphodiesterase A; Phosphodiesterase 3A; Cyclic GMP-inhibited phosphodiesterase A; Cyclic GMP inhibited phosphodiesterase A; CGI-PDE A
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| Target Type | Successful Target | ||||
| Gene Name | PDE3A | ||||
| Biochemical Class | Phosphoric diester hydrolase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 67 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Roflumilast
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Approved | Compound Info | ||
| Synonyms |
162401-32-3; DAXAS; Daliresp; 3-(CYCLOPROPYLMETHOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-(DIFLUOROMETHOXY)BENZAMIDE; BY217; BYK20869; UNII-0P6C6ZOP5U; BY-217; Roflumilast (Daxas); B9302-107; 0P6C6ZOP5U; 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamide; Benzamide, 3-(cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)-; CHEMBL193240; CHEBI:47657; BYK-20869; ROF; Libertek; AK110425; 3-Cyclopropylmethoxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide; DAXAS; Roflumilast [USAN]; APTA-2217; Roflumilast (JAN/USAN/INN); 3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-di-chloropyrid-4-yl)benzamide; Alogliptin/roflumilast
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
US9388139, 12
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|
Patented | Compound Info | ||
| Synonyms |
SCHEMBL12493454; CHEMBL3899621; BDBM236643; US9388139, 12
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| Activity |
IC50 ~ 50000 nM
|
[2] | |||
| Compound Name |
AC1MOZOL
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Patented | Compound Info | ||
| Synonyms |
686770-82-1; AC1MOZOL; CHEMBL3919432; SCHEMBL16200742; BDBM86644; AKOS024584761; MCULE-1812319467; BC11-38-2; EU-0022203; SR-01000120183; SR-01000120183-1; F0579-0063; 2-(sec-butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 2-butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
BC11-28
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Patented | Compound Info | ||
| Synonyms |
BDBM86641; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine; AC1MM8WN; Oprea1_524381; CHEMBL2132713; SCHEMBL14998917; BDBM60812; HMS1911I05; ZINC2713985; STK859438; AKOS002104616; MCULE-7713625102; BC11-28; NCGC00138975-01; ST50069829; EU-0095146; US9173884, BC11-28; SR-01000567887; SR-01000567887-1; K405-0344; 7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine; [7-(4-fluorophenyl)-5-phenylpyrrolo[3,2-e]pyrimidin-4-yl](2-methylphenyl)amine
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
AC1M1SP5
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Patented | Compound Info | ||
| Synonyms |
3-(2-methoxyphenyl)-2-(propylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one; 850915-31-0; AC1M1SP5; SCHEMBL16200721; CHEMBL3913943; BDBM86646; ZINC2719834; AKOS024584906; MCULE-4663000139; BC11-38-4; SR-01000120201; SR-01000120201-1; F0579-0260; 3-(2-methoxyphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
(2S)-2-[[1-(2-Chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3360413; BDBM50034649
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| Activity |
IC50 ~ 50000 nM
|
[4] | |||
| Compound Name |
6-(3,4-Dimethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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Investigative | Compound Info | ||
| Synonyms |
triazolothiadiazine, 21; MLS000040393; BMCL181297 Compound 5A; CHEMBL251785; cid_662965; SCHEMBL1773326; REGID_for_CID_662965; BDBM30027; HMS2427C11; ZINC4312962; STK877959; AKOS002046530; CCG-193287; MCULE-2949109211; NCGC00071837-02; NCGC00071837-03; NCGC00071837-05; SMR000043645; ST081704; SR-01000612138; SR-01000612138-3; BRD-K77507773-001-10-1
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| Activity |
IC50 ~ 50000 nM
|
[5] | |||
| Compound Name |
2-[[1-(2-Chlorophenyl)-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2178115; SCHEMBL16981747; BDBM50398649
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| Activity |
IC50 ~ 50000 nM
|
[6] | |||
| Compound Name |
[4-(1-Methylimidazole-4-carbonyl)piperazin-1-yl]-[4-(tetrazolo[1,5-a]quinoxalin-4-ylamino)phenyl]methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL4060134; SCHEMBL15622348
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| Activity |
IC50 = 50118.72 nM
|
[7] | |||
| Compound Name |
3-Phenyl-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
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Investigative | Compound Info | ||
| Synonyms |
BDBM86640; Maybridge4_000373; Oprea1_392751; CHEMBL3974407; SCHEMBL14998934; BDBM60808; HMS1522A21; ZINC134330; CCG-51916; BC11-19; MCULE-1137806289; IDI1_030955; NCGC00177650-01; US9173884, BC11-19; SR-01000641186-1; BRD-K04557143-001-01-6
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| Activity |
IC50 = 51000 nM
|
[3] | |||
| Compound Name |
(3,4,5-Trimethoxyphenyl)methyl 5-phenylfuran-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2041596; BDBM50385902
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| Activity |
IC50 = 54600 nM
|
[8] | |||
| Compound Name |
4-[2-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628998; BDBM50128239
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| Activity |
IC50 = 58710 nM
|
[9] | |||
| Compound Name |
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628997; BDBM50128238
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| Activity |
IC50 = 62200 nM
|
[9] | |||
| Compound Name |
4-[2-(2-Fluoroethoxy)ethoxy]-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628996; BDBM50128237
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| Activity |
IC50 = 66400 nM
|
[9] | |||
| Compound Name |
7-Methoxy-4-[(E)-2-pyridin-4-ylethenyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425770; SCHEMBL13580021; BDBM50493411
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| Activity |
IC50 = 67100 nM
|
[1] | |||
| Compound Name |
2-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxyacetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL183280; BDBM50151641
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| Activity |
IC50 ~ 68000 nM
|
[10] | |||
| Compound Name |
4-Benzyl-3,4,11,12-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2,6,10,13,15-hexaen-5-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779434; BDBM50344316; 2-Benzyl-5,6-dihydro-2H-1,2,7,7a-tetraaza-benzo[c]fluoren-3-one
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| Activity |
IC50 = 69000 nM
|
[11] | |||
| Compound Name |
3,5-Dichloro-N-[[7-methoxy-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methyl]pyridin-4-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425765; BDBM50493424
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| Activity |
IC50 = 71400 nM
|
[1] | |||
| Compound Name |
6-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1777830; BDBM50344309
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| Activity |
IC50 = 72000 nM
|
[11] | |||
| Compound Name |
8-Chloro-5-(2-hydroxyethoxy)spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL183965; SCHEMBL5115877; BDBM50151647; OM-995
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| Activity |
IC50 ~ 73000 nM
|
[10] | |||
| Compound Name |
CID 16666618
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2069596; BDBM50390625; 3-[2-ethyl-7-(methylamino)pyrazolo[1,5-a]pyridin-4-yl]-4,4-dimethyl-1H-pyrazol-5-one
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| Activity |
IC50 = 75550 nM
|
[12] | |||
| Compound Name |
6-Methoxy-2-[[4-[4-(4-pyridyl)-1-methyl-1H-pyrazole-3-yl]phenoxy]methyl]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3218039; SCHEMBL3276621; BDBM50496802
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| Activity |
IC50 = 78000 nM
|
[13] | |||
| Compound Name |
Ethyl 5-[(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxymethyl]furan-2-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL359890; BDBM50151644
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| Activity |
IC50 = 78000 nM
|
[10] | |||
| Compound Name |
3-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)-N-[3-(dimethylamino)propyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL182617; BDBM50151603
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| Activity |
IC50 = 78100 nM
|
[14] | |||
| Compound Name |
N-(2-Fluoroethyl)-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628999; BDBM50128259
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| Activity |
IC50 = 78800 nM
|
[9] | |||
| Compound Name |
3-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-6-yl)-N-[2-(dimethylamino)ethyl]benzamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL363084; BDBM50151602
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| Activity |
IC50 ~ 79900 nM
|
[14] | |||
| Compound Name |
(5Z)-5-(3,4-Diethoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL270637; SCHEMBL8311580; BDBM50372902; STL418261; ZINC29126313; AKOS003043142
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| Activity |
IC50 = 80000 nM
|
[15] | |||
| Compound Name |
5-Methyl-6-(2-isopropylpyrazolo[1,5-a]pyridine-3-yl)-4,5-dihydropyridazine-3(2H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779335; SCHEMBL7506484; BDBM50344305; 4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one; rac-6-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
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| Activity |
IC50 = 89000 nM
|
[11] | |||
| Compound Name |
8-Chloro-6-[2-(4-methylpiperazine-1-carbonyl)phenyl]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL185588; BDBM50151595
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| Activity |
IC50 ~ 92000 nM
|
[14] | |||
| Compound Name |
2-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxyacetonitrile
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL184279; BDBM50151631
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| Activity |
IC50 = 94000 nM
|
[10] | |||
| Compound Name |
N-(3,5-Dichloropyridin-4-yl)-7-methylsulfanyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425826; SCHEMBL13425134; BDBM50493410
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
7-(1-Hydroxyethyl)-2-trifluoromethylpyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425742; SCHEMBL13425148; BDBM50493390
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Cyclopropyl-N-(3,5-dichloropyridin-4-yl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425753; SCHEMBL13425085; BDBM50493389
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
N,N-Diethyl-3-methyl-1-(2-methylphenyl)-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3972355; SCHEMBL14999000; BDBM86639; HMS1786A16; ZINC3293408; AKOS034464439; BC11-15; MCULE-3880495348; Z56898051
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-(3,5-Dichloropyridin-4-yl)-2-[(E)-hydroxyiminomethyl]-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425760; BDBM50493412
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(Butylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3955950; SCHEMBL16200699; BDBM86643; ZINC2719706; AKOS024584760; MCULE-1273250191; BC11-38-1; EU-0022193; SR-01000120181; SR-01000120181-1; F0579-0062
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
2-Cyano-N-(3,5-dichloropyridin-4-yl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425738; SCHEMBL13425131; BDBM50493407; 2-cyano-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
7-Methoxy-4-(pyridin-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425774; BDBM50493391
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-(Propylthio)-3-(p-tolyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3950652; SCHEMBL16200731; BDBM86645; ZINC2459466; AKOS024584842; MCULE-6274932978; BC11-38-3; EU-0088907; SR-01000120189; SR-01000120189-1; F0579-0160
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| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Compound Name |
N-Benzyl-5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole-2-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2017062; SCHEMBL12963761; BDBM50380638
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| Activity |
Ki ~ 100000 nM
|
[16] | |||
| Compound Name |
N-(3,5-Dichloropyridin-4-yl)-2-ethyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425749; SCHEMBL13425075; BDBM50493409
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
7-Methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425747; SCHEMBL13425097; BDBM50493420; N-(3,5-dichloropyridin-4-yl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2-Acetyl-7-methoxypyrazolo[1,5-a]pyridine-4-carboxylic acid (3,5-dichloropyridin-4-yl)amide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2425758; SCHEMBL13425126; BDBM50493388; 2-acetyl-N-(3,5-dichloropyridin-4-yl)-7-methoxypyrazolo[1,5-a]pyridine-4-carboxamide
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
5-[2-(2-Aminoethoxy)ethoxy]-8-chlorospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL184701; BDBM50151643
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
4-[[5-(4-Chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL361512; SCHEMBL4247887; SCHEMBL4247888; BDBM50151544; 4-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylideneamino]-phenol
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| Activity |
IC50 = 101000 nM
|
[17] | |||
| Compound Name |
8-Chloro-5-(2-morpholin-4-ylethoxy)spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL185523; BDBM50151645
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
2-[2-(8-Chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxyethylamino]acetic acid
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL363658; BDBM50151630
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
8-Chloro-5-[2-(methylamino)ethoxy]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL184979; BDBM50151642
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
2-[[5-(4-Chlorophenyl)-3-methyl-1,3,4-thiadiazol-2-ylidene]amino]phenol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL185531; SCHEMBL4249533; SCHEMBL4249536; BDBM50151525; 2-[5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylideneamino]-phenol
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| Activity |
IC50 ~ 101000 nM
|
[17] | |||
| Compound Name |
6-Phenyl-8-chlorospiro[quinazoline-4(3H),1'-cyclohexane]-2(1H)-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL182703; SCHEMBL7003950; BDBM50151593
Click to Show/Hide
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| Activity |
IC50 ~ 101000 nM
|
[14] | |||
| Compound Name |
Chembl4127641
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Investigative | Compound Info | ||
| Synonyms |
PF04677490; 7,8-dimethoxy-N-(1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl)quinazolin-4-amine; 7,8-dimethoxy-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine; SCHEMBL16082000; BDBM50272571
Click to Show/Hide
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| Activity |
IC50 = 101000 nM
|
[18] | |||
| Compound Name |
5-(4-Chlorophenyl)-N-(3-fluorophenyl)-3-methyl-1,3,4-thiadiazol-2-imine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL365206; SCHEMBL4246678; SCHEMBL4246681; BDBM50151529; [5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylidene]-(3-fluoro-phenyl)-amine
Click to Show/Hide
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| Activity |
IC50 ~ 101000 nM
|
[17] | |||
| Compound Name |
5-(4-Chlorophenyl)-N-(4-fluorophenyl)-3-methyl-1,3,4-thiadiazol-2-imine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL362719; SCHEMBL4250388; SCHEMBL4250390; BDBM50151559; [5-(4-Chloro-phenyl)-3-methyl-3H-[1,3,4]thiadiazol-(2Z)-ylidene]-(4-fluoro-phenyl)-amine
Click to Show/Hide
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||||
| Activity |
IC50 ~ 101000 nM
|
[17] | |||
| Compound Name |
5-(2-Aminoethoxy)-8-chlorospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL185275; BDBM50151639
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
8-Chloro-5-[2-hydroxy-3-(methylamino)propoxy]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL364200; BDBM50151633
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| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
8-Chloro-5-[3-(dimethylamino)-2-hydroxypropoxy]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL184013; BDBM50151632
Click to Show/Hide
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||||
| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
8-Chloro-5-[2-(dimethylamino)ethoxy]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL184903; BDBM50151648
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
8-Chloro-5-[3-(dimethylamino)propoxy]spiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-2-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL185108; BDBM50151637
Click to Show/Hide
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||||
| Activity |
IC50 ~ 101000 nM
|
[10] | |||
| Compound Name |
(5-Phenylfuran-2-yl)methyl 3,4,5-triethoxybenzoate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL2041590; BDBM50385905
Click to Show/Hide
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||||
| Activity |
IC50 = 104200 nM
|
[8] | |||
| Compound Name |
6-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779427; BDBM50344308
Click to Show/Hide
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||||
| Activity |
IC50 = 110000 nM
|
[11] | |||
| Compound Name |
6-Fluoro-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3629001; BDBM50128266
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||||
| Activity |
IC50 = 111000 nM
|
[9] | |||
| Compound Name |
4-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628719; BDBM50128270
Click to Show/Hide
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||||
| Activity |
IC50 = 116000 nM
|
[9] | |||
| Compound Name |
3-Methoxy-2-[[4-[4-(4-pyridyl)-1-methyl-1H-pyrazole-3-yl]phenoxy]methyl]quinoline
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3218036; BDBM50496800
Click to Show/Hide
|
||||
| Activity |
IC50 = 123000 nM
|
[13] | |||
| Compound Name |
4-[2-[2-[2-(2-Fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628720; BDBM50128271
Click to Show/Hide
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||||
| Activity |
IC50 = 144400 nM
|
[9] | |||
| Compound Name |
(1-Methylbenzimidazol-2-yl)-[4-(3-pyridin-3-ylpyridin-2-yl)oxyphenyl]methanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3393204; BDBM50103183
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||||
| Activity |
IC50 = 167000 nM
|
[19] | |||
| Compound Name |
4-Fluoro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628713; BDBM50128291
Click to Show/Hide
|
||||
| Activity |
IC50 = 199000 nM
|
[9] | |||
| Compound Name |
Click to Show/Hide
|
Compound Info | |||
| Activity |
IC50 ~ 100000 nM
|
[3] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 10 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Ibudilast
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Eyevinal; Ibudilastum; Ketas; Ibudilastum [Latin]; Ke Tas; AV 411; I 0157; KC 404; AV-411; Ibudilast [INN:JAN]; KC-404; Ketas (TN); MN-166; Ibudilast (JAN/INN); 1-(2-Isopropylpyrazolo(1,5-a)pyridin-3-yl)-2-methyl-1-propanone; 2-Isopropyl-3-isobutyrylpyrazolo(1,5-a)pyridine; 2-Methyl-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl] 1-propanone; 2-methyl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one; 3-Isobutyryl-2-isopropylpyrazolo(1,5-a)pyridine; 3-Isobutyryl-2-isopropylpyrazolo[1,5-a]pyridine
Click to Show/Hide
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| Activity |
IC50 = 299000 nM
|
[11] | |||
| Compound Name |
15-Propan-2-yl-3,4,13,14-tetrazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,9,11,14-pentaen-5-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779435; BDBM50344317; rac-1-Isopropyl-6a,9-dihydro-6H,7H-2,2a,9,10-tetraaza-aceanthrylen-8-one
Click to Show/Hide
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||||
| Activity |
IC50 = 210000 nM
|
[11] | |||
| Compound Name |
6-(2-Isopropyl-7-methoxypyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3(2H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779438; BDBM50344320
Click to Show/Hide
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||||
| Activity |
IC50 = 260000 nM
|
[11] | |||
| Compound Name |
4-(2-Fluoroethoxymethyl)-2-[[4-(2-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3628995; BDBM50128236
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||||
| Activity |
IC50 = 306000 nM
|
[9] | |||
| Compound Name |
2-Isopropyl-3-(6-methoxypyridazin-3-yl)pyrazolo[1,5-a]pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779442; BDBM50344324
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Compound Name |
3-(6-Chloro-4-methylpyridazin-3-yl)-2-isopropylpyrazolo[1,5-a]pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779441; BDBM50344323
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Compound Name |
2-Isopropyl-3-(6-chloropyridazine-3-yl)pyrazolo[1,5-a]pyridine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779440; BDBM50344322; 3-(6-chloropyridazin-3-yl)-2-isopropylpyrazolo[1,5-a]pyridine
Click to Show/Hide
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||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Compound Name |
2-Benzyl-6-(2-isopropyl-7-methoxypyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydropyridazin-3(2H)-one
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779439; BDBM50344321
Click to Show/Hide
|
||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Compound Name |
(S)-6-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
Click to Show/Hide
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779426; BDBM50344307; 4,5-Dihydro-5alpha-methyl-6-(2-isopropylpyrazolo[1,5-a]pyridine-3-yl)pyridazine-3(2H)-one; (4S)-4-methyl-3-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)-4,5-dihydro-1H-pyridazin-6-one
Click to Show/Hide
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||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Compound Name |
6-(2-Isopropylpyrazolo[1,5-a]pyridin-3-yl)-5-methylpyridazin-3(2H)-one
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1779428; BDBM50344310
Click to Show/Hide
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||||
| Activity |
IC50 > 400000 nM
|
[11] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity. Bioorg Med Chem Lett. 2013 Oct 1;23(19):5311-6. | ||||
| REF 2 | US patent application no. 9388139B2, Derivatives of celeboxib, use thereof and preparation thereof | ||||
| REF 3 | US patent application no. 9173884B2, Inhibitors of phosphodiesterase 11 (PDE11) | ||||
| REF 4 | Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent. J Med Chem. 2014 Dec 26;57(24):10304-13. | ||||
| REF 5 | Identification of a potent new chemotype for the selective inhibition of PDE4. Bioorg Med Chem Lett. 2008 Feb 15;18(4):1297-303. | ||||
| REF 6 | Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design. J Med Chem. 2012 Oct 11;55(19):8549-58. | ||||
| REF 7 | Discovery of a Highly Selective Tankyrase Inhibitor Displaying Growth Inhibition Effects against a Diverse Range of Tumor Derived Cell Lines. J Med Chem. 2017 Jul 13;60(13):5455-5471. | ||||
| REF 8 | Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds. J Med Chem. 2012 Apr 12;55(7):3274-84. | ||||
| REF 9 | Synthesis of Fluorine-Containing Phosphodiesterase 10A (PDE10A) Inhibitors and the In Vivo Evaluation of F-18 Labeled PDE10A PET Tracers in Rodent and Nonhuman Primate. J Med Chem. 2015 Nov 12;58(21):8584-600. | ||||
| REF 10 | Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 2: Optimization of 5,8-disubstituted derivatives. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4627-31. | ||||
| REF 11 | Phosphodiesterase inhibitors. Part 1: Synthesis and structure-activity relationships of pyrazolopyridine-pyridazinone PDE inhibitors developed from ibudilast. Bioorg Med Chem Lett. 2011 Jun 1;21(11):3307-12. | ||||
| REF 12 | Phosphodiesterase inhibitors. Part 4: design, synthesis and structure-activity relationships of dual PDE3/4-inhibitory fused bicyclic heteroaromatic-4,4-dimethylpyrazolones. Bioorg Med Chem Lett. 2012 Sep 15;22(18):5833-8. | ||||
| REF 13 | Synthesis and in vitro biological evaluation of pyrazole group-containing analogues for PDE10A. Medchemcomm. 2013 Feb 1;4(2):443-449. | ||||
| REF 14 | Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 1. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4623-6. | ||||
| REF 15 | Rhodanine derivatives as novel inhibitors of PDE4. Bioorg Med Chem Lett. 2008 Mar 15;18(6):2032-7. | ||||
| REF 16 | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia. Bioorg Med Chem Lett. 2012 Apr 1;22(7):2585-9. | ||||
| REF 17 | Discovery of thiadiazoles as a novel structural class of potent and selective PDE7 inhibitors. Part 1: design, synthesis and structure-activity relationship studies. Bioorg Med Chem Lett. 2004 Sep 20;14(18):4607-13. | ||||
| REF 18 | Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1. J Med Chem. 2018 May 24;61(10):4635-4640. | ||||
| REF 19 | Synthesis and in vitro characterization of cinnoline and benzimidazole analogues as phosphodiesterase 10A inhibitors. Bioorg Med Chem Lett. 2015 Feb 15;25(4):919-24. | ||||
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