Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T55654 | Target Info | |||
| Target Name | cAMP-dependent chloride channel (CFTR) | ||||
| Synonyms |
cAMPdependent chloride channel; Cystic fibrosis transmembrane conductance regulator; Channel conductancecontrolling ATPase; ATPbinding cassette subfamily C member 7; ATP-binding cassette sub-family C member 7; ABCC7
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| Target Type | Successful Target | ||||
| Gene Name | CFTR | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 34 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
APIGENIN
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Investigative | Compound Info | ||
| Synonyms |
apigenin; 520-36-5; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one; Chamomile; Versulin; Spigenin; Apigenol; 4',5,7-Trihydroxyflavone; Apigenine; C.I. Natural Yellow 1; 5,7,4'-Trihydroxyflavone; Pelargidenon 1449; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone; 2-(p-Hydroxyphenyl)-5,7-dihydroxychromone; UCCF 031; NSC 83244; UNII-7V515PI7F6; 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one; 5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one; CCRIS 3789; CHEBI:18388; CHEMBL28; EINECS 208-292-3; 4H-1-Benzopyran-4-one, 5,7-di
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| Activity |
Ki = 81000 nM
|
[1] | |||
| Compound Name |
Disodium;4-[(Z)-[4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl]benzene-1,3-disulfonate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL487833
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| Activity |
IC50 = 50000 nM
|
[2] | |||
| Compound Name |
4-(3-Chlorophenyl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3597853; BDBM50108513
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| Activity |
EC50 = 53000 nM
|
[3] | |||
| Compound Name |
10-Chloro-5-propylbenzo[c]quinolizin-11-ium-6-ol;chloride
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL173488
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| Activity |
EC50 = 54200 nM
|
[4] | |||
| Compound Name |
Ethyl 5-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL3597886; BDBM50105911
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| Activity |
EC50 = 58000 nM
|
[3] | |||
| Compound Name |
Chembl4243267
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Investigative | Compound Info | ||
| Synonyms |
Asperidine C; BDBM50463448
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| Activity |
IC50 = 58620 nM
|
[5] | |||
| Compound Name |
Ethyl 10-fluoro-6-hydroxybenzo[c]quinolizin-11-ium-5-carboxylate;chloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL177257
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| Activity |
EC50 = 70500 nM
|
[4] | |||
| Compound Name |
4-(1,3-Benzodioxol-5-yl)-N-(3-methylsulfanylphenyl)-1,3-thiazol-2-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3597875; SCHEMBL8297180; BDBM50108496
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| Activity |
EC50 = 71000 nM
|
[3] | |||
| Compound Name |
5,7-Dimethyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018587; SCHEMBL14235252; BDBM50289865
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
5,7-Dimethyl-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018586; SCHEMBL14235250; BDBM50290146
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
1-(6-Benzyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746375; BDBM50290113
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(2-Methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018585; MLS003151667; SCHEMBL14235358; BDBM50289862; SMR001856261
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(3-Methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1882863; MLS003151668; SCHEMBL14235359; BDBM50289863; SMR001856262
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(6-Benzyl-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746934; BDBM50290117
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
6-Benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746313; BDBM50290115
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
N-[3-[(3-Cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2-methoxybenzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1867725; MLS003151673; SCHEMBL14235254; BDBM50289867; SMR001856266
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(4-Methoxybenzoyl)piperazin-1-yl]-5,7-dimethylquinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1870726; MLS003151669; SCHEMBL14235249; BDBM50289864; SMR001856263
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-[6-(Benzenesulfonyl)-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3745956; BDBM50290129
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
6-Benzyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3745870; BDBM50290116
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
[4-[4-[2-(Dimethylamino)ethyl]piperazin-1-yl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3745729; BDBM50290128
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-[6-[(4-Methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746584; BDBM50290118
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
N-[2-[(3-Cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]benzamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018579; MLS003674358; SCHEMBL14235926; BDBM50290133; ZINC35291225; AKOS000680484; SMR002353828
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
N-[3-[(3-Cyano-5,7-dimethylquinolin-2-yl)amino]propyl]pyridine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018591; SCHEMBL14235925; BDBM50289869
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-[6-[(4-Fluorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3747405; BDBM50290140
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
6-(4-Hydroxy-2-methoxyphenyl)-7,9-dimethyl-11-phenyl-6,7-dihydropyrimido[4',5':3,4]pyrrolo[1,2-a]quinoxaline-8,10(5H,9H)-dione
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1222403; SCHEMBL1259388; BDBM50416586; CCG-153803; MCULE-5558343908
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|
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| Activity |
IC50 = 100000 nM
|
[7] | |||
| Compound Name |
N-[2-[(3-Cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]pyridine-2-carboxamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018576; MLS003674355; SCHEMBL14235356; BDBM50290131; SMR002353825
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
N-[1-[6-[(4-Chlorophenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]-N-ethylacetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746219; BDBM50290123
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(6-Benzyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3745748; BDBM50290114
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
2-[4-(6-Benzyl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-N,N-dimethylethanamine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3746475; BDBM50290139
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
5,7-Dimethyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2018588; SCHEMBL14235251; BDBM50289866
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|
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| Activity |
EC50 = 100000 nM
|
[6] | |||
| Compound Name |
10-Chloro-6-hydroxybenzo [c]quinolizinium chloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL175225; SCHEMBL2081163; SCHEMBL2081165
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|
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| Activity |
EC50 = 141000 nM
|
[4] | |||
| Compound Name |
7-Chloro-6-hydroxypyrido[1,2-a]quinolinium chloride
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL367928; NSC679797; CTK8C6873; NSC-679797
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| Activity |
EC50 = 146000 nM
|
[4] | |||
| Compound Name |
2-(1-Hydroxypentyl)-6-methyl-3-(2-phenylethyl)-1H-Indole-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL403296; SCHEMBL1913466; DTXSID50468136; 2-(1-hydroxypentyl)-6-methyl-3-phenethyl-1H-indole-5-carboxylic Acid; BDBM50231891; MFCD27978011; FT-0669532
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| Activity |
IC50 = 160000 nM
|
[8] | |||
| Compound Name |
2-(4-Carboxybutyl)-3-(hydroxymethyl)-5-methyl-1-phenethyl-1H-indole-6-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL403297; BDBM50231893
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| Activity |
IC50 = 170000 nM
|
[8] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 3 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
2-(4-Carboxy-1-hydroxybutyl)-6-methyl-3-phenethyl-1H-indole-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL252077; BDBM50231892
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|
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| Activity |
IC50 = 330000 nM
|
[8] | |||
| Compound Name |
3-(Hydroxymethyl)-5-methyl-2-pentyl-1-phenethyl-1H-indole-6-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL250740; SCHEMBL4431988; BDBM50231889
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|
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| Activity |
IC50 = 380000 nM
|
[8] | |||
| Compound Name |
2-((2-Carboxyethyl)carbamoyl)-6-methyl-3-phenethyl-1H-indole-5-carboxylic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL252273; BDBM50231890
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|
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| Activity |
IC50 = 490000 nM
|
[8] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Flavones: an important scaffold for medicinal chemistry. Eur J Med Chem. 2014 Sep 12;84:206-39. | ||||
| REF 2 | Thiazolidinone CFTR inhibitors with improved water solubility identified by structure-activity analysis. Bioorg Med Chem. 2008 Sep 1;16(17):8187-95. | ||||
| REF 3 | Synthesis and structure-activity relationship of aminoarylthiazole derivatives as correctors of the chloride transport defect in cystic fibrosis. Eur J Med Chem. 2015 Jun 24;99:14-35. | ||||
| REF 4 | Synthesis, SAR, crystal structure, and biological evaluation of benzoquinoliziniums as activators of wild-type and mutant cystic fibrosis transmembrane conductance regulator channels. J Med Chem. 2004 Feb 12;47(4):962-72. | ||||
| REF 5 | Asperidines A-C, pyrrolidine and piperidine derivatives from the soil-derived fungus Aspergillus sclerotiorum PSU-RSPG178. Bioorg Med Chem. 2018 Aug 15;26(15):4502-4508. | ||||
| REF 6 | Synthesis and biological evaluation of novel thiazole- VX-809 hybrid derivatives as F508del correctors by QSAR-based filtering tools. Eur J Med Chem. 2018 Jan 20;144:179-200. | ||||
| REF 7 | Nanomolar potency pyrimido-pyrrolo-quinoxalinedione CFTR inhibitor reduces cyst size in a polycystic kidney disease model. J Med Chem. 2009 Oct 22;52(20):6447-55. | ||||
| REF 8 | Rational design of the first small-molecule antagonists of NHERF1/EBP50 PDZ domains. Bioorg Med Chem Lett. 2008 Feb 1;18(3):942-5. | ||||
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