Target Poor or Non Binder(s) Information

Target General Information

Target ID

T50429

Target Info

Target Name

Peptidyl arginine deiminase type IV (PADI4)

Synonyms

Protein-arginine deiminase type-4; Protein-arginine deiminase type IV; Peptidylarginine deiminase IV; PDI5; PADI5; PAD4; HL-60 PAD

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Target Type

Literature-reported Target

Gene Name

PADI4

Biochemical Class

Carbon-nitrogen hydrolase

UniProt ID

Q9UM07

Poor Binders of This Target (in total, 8 binders)

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Compound Name

Minocycline

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Approved

Compound Info

Synonyms

Borymycin; MINO; MIY; Minociclina; Minociclinum; Minocin; Minocline; Minocyclin; Minocyclinum; Minocycline Monohydrochloride; CL 59806; Lactoferrin B & Minocycline; Lactoferrin H & Minocycline; Minociclina [INN-Spanish]; Minocin (Hydrochloride); Minocin (TN); Minocyclinum [INN-Latin]; Vectrin (Hydrochloride); CRL-1605 & Minocycline; Minocycline (USAN/INN); Minocycline [USAN:BAN:INN]; (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE; 4,7-Bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide; 7-Dimethylamino-6-demethyl-6-deoxytetracycline

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Activity

Ki = 180000 nM

[1]

Compound Name

F-Amidine (trifluoroacetate salt)

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Investigative

Compound Info

Synonyms

CHEMBL1910973; SCHEMBL18730598

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Activity

IC50 = 51000 nM

[2]

Compound Name

N-[(2S)-1-(Benzylamino)-1-oxo-4-(triazol-1-yl)butan-2-yl]-1-methylpyrrole-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4089260; BDBM50246191

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Activity

Ki = 64000 nM

[3]

Compound Name

Schembl22236497

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Investigative

Compound Info

Synonyms

CHEMBL4101345; BDBM50246174

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Activity

Ki = 88000 nM

[3]

Compound Name

Chlortetracycline

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Investigative

Compound Info

Synonyms

AUREOMYCIN; Chlorotetracycline; 7-Chlorotetracycline; Clortetraciclina; Chlortetracyclinum; UNII-WCK1KIQ23Q; Biomycin; WCK1KIQ23Q; Aureomykoin; Chrysomykine; Acronize; Aureocina; Biomitsin; Duomycin; Flamycin; Uromycin; Biomycin a; CTC (abtibiotic); Tri-chlortetracycline; MFCD00864876; Aureomycin A-377; Caswell No. 219B; Aureomycin (TN); Chlortetracycline [INN:BAN]; Chlortetracyclinum [INN-Latin]; Clortetraciclina [INN-Spanish]; Chlormax; EINECS 200-341-7; EPA Pesticide Chemical Code 006301; Aueromycin; Spectrum_000727; Spectrum_001315; Chlortetracycline (INN); Prestwick0_000145; Prestwick1_000145; Prestwick2_000145; Spectrum2_000802; Spectrum3_000348; Spectrum4_001001; Spectrum4_001791; Spectrum5_000461; Spectrum5_001870; SCHEMBL3110; SCHEMBL62861; BSPBio_002015; KBioGR_001461; KBioGR_002364; KBioSS_001207; KBioSS_001795; DivK1c_000253; SPBio_000663; SPBio_002189; CHEMBL404520; SCHEMBL4099094; CHEMBL1622557; DTXSID9022811; SCHEMBL19981439; HMS500M15; HY-B1327A; KBio1_000253; KBio2_001207; KBio2_001795; KBio2_003775; KBio2_004363; KBio2_006343; KBio2_006931; KBio3_001235; NINDS_000253; RKL10090; LMPK07000004; ZINC19701769; ZINC100154659; ZINC100302624; CCG-269531; DB09093; MCULE-9900766267; IDI1_000253; NCGC00178862-01; NCGC00178862-04; SBI-0051312.P003; CS-0013541; C06571; D07689; 90565-EP2270015A1; 90565-EP2272510A1; 90565-EP2272834A1; 90565-EP2301929A1; 90565-EP2301935A1; 90565-EP2305674A1; AB00643434_03; 864C876; Q417948; Q-200843

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Activity

IC50 = 100000 nM

[1]

Compound Name

N-[(2S)-1-(Benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]-1-methylpyrrole-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4099413; SCHEMBL18546463; BDBM50246180

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Activity

Ki = 180000 nM

[3]

Compound Name

5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione

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Investigative

Compound Info

Synonyms

CHEMBL2312698; SCHEMBL15557144; 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidin-2,4-dione; BDBM50426302; ZINC19199934; AKOS000777329

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Activity

Ki = 183000 nM

[4]

Compound Name

Chembl4284049

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Investigative

Compound Info

Synonyms

BDBM50467966

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Activity

IC50 = 190000 nM

[5]

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Non Binders of This Target (in total, 32 non binders)

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Compound Name

Doxycycline

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Approved

Compound Info

Synonyms

Atridox; Azudoxat; DOXY; Deoxymykoin; Dossiciclina; Doxiciclina; Doxitard; Doxivetin; Doxycen; Doxychel; Doxycin; Doxycyclin; Doxycyclinum; Doxysol; Doxytec; Doxytetracycline; Hydramycin; Investin; Jenacyclin; Liviatin; Monodox; Oracea; Ronaxan; Spanor; Supracyclin; Vibramycin; Vibramycine; Vibravenos; DOXCYCLINE ANHYDROUS; DOXYCYCLINE CALCIUM; DOXYCYCLINE MONOHYDRATE; Dossiciclina [DCIT]; Doxiciclina [Italian]; Doxycycline anhydrous; Doxycycline hyclate; Vibramycin Novum; Alpha-Doxycycline; Alti-Doxycycline; Apo-Doxy; BMY-28689; BU-3839T; Doxiciclina [INN-Spanish]; Doxy-Caps; Doxy-Puren; Doxy-Tabs; Doxychel (TN); Doxycycline (INN); Doxycycline (TN); Doxycycline (anhydrous); Doxycycline (internal use); Doxycycline-Chinoin; Doxycyclinum [INN-Latin]; Novo-Doxylin; Nu-Doxycycline; Periostat (TN); Vibra-tabs; Alpha-6-Deoxyoxytetracycline; DMSC (*Fosfatex); Doxycycline (200mg/day) or Placebo; Monodox (*monohydrate); Vibramycin (*monohydrate); Vivox (*Hyclate); GS-3065 (*monohydrate); Alpha-6-Deoxy-5-hydroxytetracycline; (2E,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (2Z,4S,4aR,5S,5aR,6R,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione; (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, (4S,4aR,5S,5aR,6R,12aS); 5-Hydroxy-alpha-6-deoxytetracycline; 6-Deoxyoxytetracycline; 6-Deoxytetracycline; 6-alpha-Deoxy-5-oxytetracycline; 6alpha-Deoxy-5-oxytetracycline

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Activity

Ki = 630000 nM

[1]

Compound Name

Leflunomide

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Approved

Compound Info

Synonyms

Arava; Leflunomid; Leflunomida; Leflunomidum; Lefunamide; Aventis Behring Brand of Leflunomide; Aventis Brand of Leflunomide; Aventis Pharma Brand of Leflunomide; Hoechst Brand of Leflunomide; HWA 486; L 5025; SU 101; SU101; Arava (TN); Arava, Leflunomide; HWA-486; Leflunomida [INN-Spanish]; Leflunomide [USAN:INN]; Leflunomidum [INN-Latin]; Lefunomide [Inn-Spanish]; RS-34821; SU 101 (pharmaceutical); SU-101; AP-501/42475599; Leflunomide (JAN/USAN/INN); N-(4-trifluoromethyphenyl)-5-methylisoxazole-4-carboxamide; N-(4'-Trifluoromethylphenyl)-5-methylisoxazole-4-carboxamide; Alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidide; 4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl; 4-isoxazolecarboxamide,5-methyl-N-(4-(trifluoromethyl)phenyl); 5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide; 5-Methylisoxazole-4-(4-trifluoromethyl)carboxanilide; 5-Methylisoxazole-4-(4-trifluoromethylcarboxanilide); 5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]-4-isoxazolecarboxamide; 5-methyl-N-[4-(trifluoromethyl)phenyl]isoxazole-4-carboxamide

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Activity

IC50 = 2400000 nM

[1]

Compound Name

Trimethoprim

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Approved

Compound Info

Synonyms

Abaprim; Alprim; Anitrim; Antrima; Antrimox; Bacdan; Bacidal; Bacide; Bacin; Bacta; Bacterial; Bacticel; Bactin; Bactoprim; Bactramin; Bencole; Bethaprim; Biosulten; Briscotrim; Chemotrin; Cidal; Colizole; Conprim; Cotrimel; Deprim; Duocide; Esbesul; Espectrin; Euctrim; Exbesul; Fermagex; Fortrim; Futin; Idotrim; Ikaprim; Instalac; Kombinax; Lagatrim; Lastrim; Methoprim; Metoprim; Monoprim; Monotrim; Monotrimin; Novotrimel; Omstat; Oraprim; Pancidim; Polytrim; Priloprim; Primosept; Primsol; Proloprim; Protrin; Purbal; Resprim; Roubac; Roubal; Salvatrim; Setprin; Sinotrim; Stopan; Streptoplus; Sugaprim; Sulfamar; Sulfamethoprim; Sulfoxaprim; Sulmeprim; Sulthrim; Sultrex; Syraprim; Tiempe; Toprim; Trimanyl; Trimethioprim; Trimethoprime; Trimethoprimum; Trimethopriom; Trimetoprim; Trimetoprima; Trimexazole; Trimexol; Trimezol; Trimogal; Trimono; Trimopan; Trimpex; Triprim; Trisul; Trisulcom; Trisulfam; Trisural; Uretrim; Urobactrim; Utetrin; Velaten; Wellcoprim; Wellcoprin; Xeroprim; Zamboprim; Bacterial [Antibiotic]; Colizole DS; Component of Bactrim; Component of Septra; Lagatrim Forte; ResprimForte; Septrin DS; Septrin Forte; Septrin S; Trimetoprim [DCIT]; Trimetoprim [Polish]; BW 5672; KUC103659N; NIH 204; T 7883; Trimpex 200; WR 5949; Alcorim-F; Apo-Sulfatrim; BW 56-72; Co-Trimoxizole; Monotrim (TN); NIH 204 (VAN); Proloprim (TN); Smz-Tmp; Sulfamethoxazole & Trimethoprim; TCMDC-125538; Tmp-Ratiopharm; Trimeth/Sulfa; Trimethopim(TMP); Trimethoprim & VRC3375; Trimethoprime [INN-French]; Trimethoprimum [INN-Latin]; Trimetoprima [INN-Spanish]; Trimez-IFSA; Trimpex (TN); Triprim (TN); U-Prin; Uro-D S; BW-56-72; KSC-4-158; AZT + TMP/SMX (mixture) combination; Trimethoprim (JAN/USP/INN); Trimethoprim [USAN:BAN:INN:JAN]

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Activity

IC50 = 7500000 nM

[1]

Compound Name

Azathioprine

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Approved

Compound Info

Synonyms

Azamun; Azanin; Azasan; Azathioprin; Azathioprinum; Azathiopurine; Azatioprin; Azatioprina; Azothioprine; Ccucol; Cytostatics; Immuran; Imuran; Imurek; Imurel; Methylnitroimidazolylmercaptopurine; Muran; Azamun [Czech]; Azathioprine sodium; Azatiopr in; A 4638; BW 57322; Azamun (TN); Azasan (TN); Azathioprinum [INN-Latin]; Azatioprina [INN-Spanish]; BW 57-322; Imuran (TN); Imurel (TN); [Methyl(nitroimidazolyl)mercaptopurine]; AI-981/34845012; BW-57-322; Azathioprine (JP15/USP/INN); Azathioprine [USAN:INN:BAN:JAN]; B. W. 57-322; Thiopurine 6-(1-methyl-4-nitroimidazol-5-yl); Azasan, Imuran, Azamun, BW-57-322, NSC-39084, Azathioprine; 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine; 6-((1-Methyl-4-nitroimidazol-5-yl)thio)purine; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine; 6-(1'-Methyl-4'-nitro-5'-imidazolyl)mercaptopurine; 6-(1-Methyl-4-nitroimidazol-5-yl)thiopurine; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin; 6-(1-Methyl-4-nitroimidazol-5-ylthio)purin [Czech]; 6-(1-Methyl-p-nitro-5-imidazolyl)-thiopurine; 6-(1-Methyl-p-nitro-5-imidazolyl)thiopurine; 6-(3-Methyl-5-nitro-3H-imidazol-4-ylsulfanyl)-7H-purine; 6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-7H-purine; 6-(Methyl-p-nitro-5-imidazolyl)-thiopurine; 6-(Methyl-p-nitro-5-imidazolyl)thiopurine; 6-({4-nitro-1-methyl-1H-imidazol-5-yl}sulfanyl)-7H-purine; 6-1'-Methyl,4'-nitro,5'-imidazolyl mercaptopurine; 6-[(1-Methyl-4-nitroimidazol-5-yl)-thio] purine; 6-[(1-Methyl-4-nitroimidazol-5-yl)thio]purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-1H-Purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-7H-purine; 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9H-purine

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Activity

IC50 = 8100000 nM

[1]

Compound Name

Zithromax

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Approved

Compound Info

Synonyms

azithromycin; Zithromax; 83905-01-5; Azithromycinum; Azithromycine; Sumamed; Zitromax; Zmax; Hemomycin; Azitrocin; Azasite; Azenil; Aritromicina; Zitrotek; Zithrax; Mixoterin; Setron; Aziwok; Zitrim; Aztrin; Zifin; Tobil; Zmas; Zeto; Azithromycinum [Latin]; Azithromycine [French]; Zithromax IV; AZITHROMYCIN DIHYDRATE; Misultina; Azitromax; Z-Pak; Tromix; Aritromicina [Spanish]; Azitromicina; CP-62993; UNII-J2KLZ20U1M; DRG-0104; CCRIS 1961; HSDB 7205; Azithromycin (anhydrous); C38H72N2O12; BRN 5387583; J2KLZ20U1M; Azythromycin; CHEBI:2955

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Activity

IC50 > 10000000 nM

[1]

Compound Name

Sulfapyridine

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Approved

Compound Info

Synonyms

Adiplon; Coccoclase; Dagenan; Eubasin; Eubasinum; Haptocil; Piridazol; Plurazol; Pyriamid; Pyridazol; Relbapiridina; Ronin;Septipulmon; Solfapiridina; Streptosilpyridine; Sulfapiridina; Sulfapyridinum; Sulfidin; Sulfidine; Sulphapyridin; Sulphapyridine; Thioseptal; Trianon; Solfapiridina [DCIT]; M and B 693; A-499; ALBB-006215; M + B 693; M&B 693; M+B 693; Sulfapiridina [INN-Spanish]; Sulfapyridine (TN); Sulfapyridinum [INN-Latin]; AO-801/41077453; N(1)-Pyridylsulfanilamide; N(sup1)-Pyridylsulfanilamide; N-2-Pyridylsulfanilamide; N1-2-Pyridylsulfanilamide; Sulfapyridine (USP/INN); Sulfapyridine [USAN:INN:BAN]; N'-2-Pyridylsulfanilide; N(1)-2-Pyridylsulfanilamide; N(sup 1)-2-Pyridylsulfanilamide; N1-(Pyridin-2-yl)sulfanilamide; Sulfanilamide, N1-2-pyridyl-(8CI); 2-(4-Aminobenzenesulfonamido)pyridine; 2-(p-Aminobenzenesulphonamido)pyridine; 2-Sulfanilamidopyridin; 2-Sulfanilamidopyridin [German]; 2-Sulfanilamidopyridine; 2-Sulfanilyl aminopyridine; 2-Sulfanilylaminopyridine; 2-Sulfapyridine; 4-(2-Pyridinylsulfonyl)aniline; 4-AMINO-N-2-PYRIDINYLBENZENESULFONAMIDE; 4-Amino-N,2-pyridinylbenzenesulfonamide; 4-Amino-N-2-pyridinyl-benzenesulfonamide; 4-Amino-N-[2-pyridyl]benzene sulfonamide; 4-[(2-Pyridylamino)sulfonyl]aniline; 4-amino-N-(pyridin-2-yl)benzenesulfonamide; 4-amino-N-pyridin-2-yl-benzenesulfonamide; 4-amino-N-pyridin-2-ylbenzenesulfonamide

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Activity

IC50 > 10000000 nM

[1]

Compound Name

Sulfamethoxazole

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Approved

Compound Info

Synonyms

sulfamethoxazole; 723-46-6; Gantanol; Sulphamethoxazole; Sulfisomezole; Sulfamethoxazol; Metoxal; Sulfamethylisoxazole; Simsinomin; Radonil; Sinomin; Sulphamethoxazol; 4-Amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide; Sulpha-methoxizole; Sulfamethalazole; Azo-gantanol; Sulphamethylisoxazole; Urobak; Sulfamethoxizole; 3-Sulfanilamido-5-methylisoxazole; Gantanol-DS; 4-amino-N-(5-methylisoxazol-3-yl)benzenesulfonamide; Bactrimel; Gamazole; Sulphisomezole; Sulfametoxazol; Solfametossazolo; Sulfamethoxazolum; Ro 4-2130; SMX; Septran; Sulphamethalazole; Trib; Solfametossazolo [DCIT]; Sulfamethoxazole sodium; MS 53; Sulphamethoxazole BP 98; ALBB-002089; Apo-Sulfamethoxazole; Bactrim (TN); Septra (TN); Septrin (TN); Sulfamethoxazolum [INN-Latin]; Sulfametoxazol [INN-Spanish]; Ro 6-2580/11; Ro-4-2130; Sulfamethoxazole [USAN:INN:JAN]; Sulfamethoxazole (JP15/USP/INN); N1-(5-Methyl-3-isoxazolyl)sulfanilamide; N1-(5-Methylisoxazol-3-yl)sulfanilamide; SULFAMETHOXAZOLE (8064-90-2 (TRIMETHOPRIM/SULFAMETHOXAZOLE); N'-(5-Methyl-3-isoxazole)sulfanilamide; N'-(5-Methyl-3-isoxazolyl)sulfanilamide; N'-(5-Methylisoxazol-3-yl)sulphanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulfanilamide; N(sup 1)-(5-Methyl-3-isoxazolyl)sulphanilamide; N(sup1)-(5-Methyl-3-isoxazolyl)sulfanilamide; Sulfanilamide, N1-(5-methyl-3-isoxazolyl)-(8CI); 3-(p-Aminophenylsulfonamido)-5-methylisoxazole; 3-(para-Aminophenylsulphonamido)-5-methylisoxazole; 3-Sulphanilamido-5-methylisoxazole; 4-Amino-N-(5-methyl-isoxazol-3-yl)-benzenesulfonamide; 4-Amino-N-[5-methyl-3-isoxazolyl]benzenesulfonamide; 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide; 5-Methyl-3-sulfanilamidoisoxazole; 5-Methyl-3-sulfanylamidoisoxazole; 5-Methyl-3-sulphanil-amidoisoxazole; Sulphameth oxazole

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Activity

IC50 > 10000000 nM

[1]

Compound Name

Methotrexate

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Approved

Compound Info

Synonyms

methotrexate; 1959/5/2; Rheumatrex; Amethopterin; Metatrexan; Hdmtx; Abitrexate; Mexate; Methylaminopterinum; Methotrexatum; Antifolan; Metotrexato; Methylaminopterin; MTX; (S)-2-(4-(((2,4-Diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)pentanedioic acid; Methotrexat; Amethopterine; Maxtrex; Rasuvo; L-Amethopterin; A-Methopterin; A-Methpterin; Amethopterin L-; Folex-Pfs; Methotrexat-Ebewe; N-Bismethylpteroylglutamic acid; Methotrexate, L-; Metotressato [DCIT]; Methotextrate; Mexate-Aq; [3H]methotrexate

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Activity

IC50 > 10000000 nM

[1]

Compound Name

N-[(2S)-1-Amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]-1H-imidazole-5-carboxamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910985

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Activity

IC50 = 230000 nM

[2]

Compound Name

N-[(2S)-1-Amino-3-[4-[(1-amino-2-fluoroethylidene)amino]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910980

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Activity

IC50 = 310000 nM

[2]

Compound Name

N-[(2S)-1-Amino-3-[3-[(1-amino-2-fluoroethylidene)amino]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910978

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Activity

IC50 = 310000 nM

[2]

Compound Name

N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4087801; SCHEMBL18529954; BDBM50246195

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Activity

Ki = 488000 nM

[3]

Compound Name

(2S)-5-[(1-Amino-2-fluoroethylidene)amino]-2-(benzenesulfonamido)pentanamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910984

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Activity

IC50 = 500000 nM

[2]

Compound Name

2-Fluoro-N'-phenylethanimidamide;hydrochloride

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Investigative

Compound Info

Synonyms

CHEMBL1910977

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Activity

IC50 > 500000 nM

[2]

Compound Name

Streptomycin

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Investigative

Compound Info

Synonyms

Streptomycin A; Strepcen; Gerox; Streptomycine; Agrept; Neodiestreptopab; Streptomycin sulphate; Chemform; Streptomycin sulfate; UNII-Y45QSO73OB; Agrimycin; NSC-14083; Streptomycin A sulfate; Y45QSO73OB; Streptomycinum; Hokko-mycin; Vetstrep; Streptomicina; Streptomyzin; Streptomycin Sesquisulfate Hydrate; Caswell No. 804; Streptomyzin [German]; Streptomicina [Italian]; NCGC00159339-02; Streptomycin [INN:BAN]; Streptomycin, Sulfate Salt; streomycin; Geroxeg; Estreptomicina [INN-Spanish]; CCRIS 5730; HSDB 1768; Streptomycin SPX; Streptomycin,(S); Streptomycin (TN); EINECS 200-355-3; Streptomycin (INN); EPA Pesticide Chemical Code 006306; Liposomal Streptomycin; NSC14083; BRN 0074498; Epitope ID:224553; SCHEMBL3276; 4-18-00-07540 (Beilstein Handbook Reference); CHEMBL372795; DTXSID4023597; GTPL10923; Streptomycin Sesquisulphate Hydrate; ZINC8214681; BDBM50103513; MFCD00072108; AKOS015969759; AM84920; DB01082; AS-35042; SC-65302; tetrahydro-2H-pyran-2-yloxy)-4-formyl-4; 280-EP2269990A1; 280-EP2270001A1; 280-EP2270006A1; 280-EP2270008A1; 280-EP2270014A1; 280-EP2272832A1; 280-EP2275420A1; 280-EP2275422A1; 280-EP2277861A1; 280-EP2277876A1; 280-EP2277880A1; 280-EP2277898A2; 280-EP2281563A1; 280-EP2281824A1; 280-EP2284154A1; 280-EP2284169A1; 280-EP2284171A1; 280-EP2284172A1; 280-EP2286812A1; 280-EP2287161A1; 280-EP2287162A1; 280-EP2289876A1; 280-EP2289882A1; 280-EP2289886A1; 280-EP2289892A1; 280-EP2289893A1; 280-EP2292088A1; 280-EP2292592A1; 280-EP2292608A1; 280-EP2292610A1; 280-EP2292612A2; 280-EP2292614A1; 280-EP2292617A1; 280-EP2295055A2; 280-EP2295402A2; 280-EP2295411A1; 280-EP2295416A2; 280-EP2295417A1; 280-EP2295434A2; 280-EP2298748A2; 280-EP2301536A1; 280-EP2301538A1; 280-EP2301544A1; 280-EP2301940A1; 280-EP2305033A1; 280-EP2305652A2; 280-EP2305658A1; 280-EP2305662A1; 280-EP2305684A1; 280-EP2305688A1; 280-EP2308562A2; 280-EP2308844A2; 280-EP2308845A2; 280-EP2308846A2; 280-EP2308855A1; 280-EP2308857A1; 280-EP2308872A1; 280-EP2308960A1; 280-EP2311453A1; 280-EP2311455A1; 280-EP2311494A1; 280-EP2311806A2; 280-EP2311836A1; 280-EP2314583A1; 280-EP2316452A1; 280-EP2316459A1; 280-EP2316829A1; 280-EP2316832A1; 280-EP2316833A1; 280-EP2316937A1; 280-EP2371811A2; C00413; D08531; 3-((2S,3S,4S,5R,6S)-4,5-dihydroxy-6; AB00443813_02; 057S921; 2,5,6-trihydroxycyclohexane-1,3-diyl)diguanidine; Q192717; BRD-K07166362-330-02-8; 1,-((1R,2R,3S,4R,5R,6S)-4-((2R,3R,4R,5S)-

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Activity

Ki = 560000 nM

[1]

Compound Name

N-[(2S)-4-[4-(Cyanomethyl)imidazol-1-yl]-1-oxo-1-(propan-2-ylamino)butan-2-yl]furan-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4083360; SCHEMBL18546884; BDBM50246192

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Activity

Ki = 591000 nM

[3]

Compound Name

3-[2-(1H-Imidazole-1-yl)ethyl]-5,5-dimethylimidazolidine-2,4-dione

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Investigative

Compound Info

Synonyms

CHEMBL4089583; SCHEMBL17068926; BDBM50248830; J3.613.897A

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Activity

Ki = 632000 nM

[4]

Compound Name

N'-Benzyl-2-fluoroethanimidamide;hydrochloride

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Investigative

Compound Info

Synonyms

CHEMBL1910976

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Activity

IC50 > 1000000 nM

[2]

Compound Name

2-Fluoro-N'-propylethanimidamide;hydrochloride

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Investigative

Compound Info

Synonyms

CHEMBL1910975

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Activity

IC50 > 1000000 nM

[2]

Compound Name

N'-[4-(Benzenesulfonamido)butyl]-2-fluoroethanimidamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910983

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Activity

IC50 > 1000000 nM

[2]

Compound Name

N-[(2S)-1-Amino-3-[4-[[(1-amino-2-fluoroethylidene)amino]methyl]phenyl]-1-oxopropan-2-yl]benzamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910981

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Activity

IC50 > 1000000 nM

[2]

Compound Name

N-[4-[(1-Amino-2-fluoroethylidene)amino]butyl]benzamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910982

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Activity

IC50 > 1000000 nM

[2]

Compound Name

5,5-Dimethyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione

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Investigative

Compound Info

Synonyms

CHEMBL4059499; BDBM50248824

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Activity

Ki = 1430000 nM

[4]

Compound Name

N-[(1S)-2-Amino-1-[3-[(1-amino-2-fluoroethylidene)amino]phenyl]-2-oxoethyl]benzamide;2,2,2-trifluoroacetic acid

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Investigative

Compound Info

Synonyms

CHEMBL1910979

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Activity

IC50 = 2100000 nM

[2]

Compound Name

N-[(2S)-1-(Benzylamino)-1-oxo-4-(triazol-1-yl)butan-2-yl]furan-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4061099; SCHEMBL18529973; BDBM50246193

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Activity

Ki = 2823000 nM

[3]

Compound Name

5,5-Dimethyl-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione

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Investigative

Compound Info

Synonyms

CHEMBL4102346; BDBM50248831; AKOS033377365; MCULE-1834493573

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Activity

Ki = 4643000 nM

[4]

Compound Name

Clindamycin

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Investigative

Compound Info

Synonyms

Chlolincocin; Clinimycin; Dalacine; Dalacin C; Sobelin; UNII-3U02EL437C; 7-Chlorolincomycin; 7-Chloro-7-deoxylincomycin; Clindamycine; Antirobe; Klimicin; ClindaDerm; 3U02EL437C; U 21251; U-21,251; Klindan 300; 7(S)-Chloro-7-deoxylincomycin; 7-Deoxy-7(S)-chlorolincomycin; 7-CDL; Clindamicina; Clindamycinum; U-21251; C18H33ClN2O5S; Clindamycin [USAN:INN:BAN]; SR-05000001477; HSDB 3037; Clindamycin,(S); EINECS 242-209-1; NSC305832; Clindamycin (USAN/INN); SCHEMBL3154; CHEMBL1753; CLINDA & IL-12; BIDD:GT0418; Clindamycin & Interleukin 12; DTXSID2022836; GTPL10607; HMS2089A05; HMS2089N16; HY-B1455; ZINC4038341; 2327AH; CC0170; AM84752; CCG-268941; CS-11147; CS-0013163; C06914; D00277; AB01275425-01; AB01275425_02; 323C449; A812757; A831786; SR-05000001477-1

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Activity

IC50 = 5100000 nM

[1]

Compound Name

Mesalamine

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Investigative

Compound Info

Synonyms

5-Aminosalicylic acid; Mesalazine; 5-Amino-2-hydroxybenzoic acid; Asacol; Pentasa; Claversal; Canasa; 5-ASA; Salofalk; Rowasa; m-Aminosalicylic acid; Mesasal; Lialda; Benzoic acid, 5-amino-2-hydroxy-; Fisalamine; Lixacol; Apriso; p-Aminosalicylsaeure; Asacolitin; Mesalazina; Mesalazinum; sfRowasa; 5-amino-2-hydroxy-benzoic acid; Asacol HD; 5-Amino Salicylic Acid; SALICYLIC ACID, 5-AMINO-; MFCD00007877; 2-Hydroxy-5-aminobenzoic acid; 3-carboxy-4-hydroxyaniline; UNII-4Q81I59GXC; NSC 38877; MAX-002; MLS001424012; 4Q81I59GXC; NSC-38877; NCGC00016344-03; Mesalazinum [Latin]; SMR000145728; DSSTox_CID_4506; DSSTox_RID_77435; DSSTox_GSID_24506; 5-Aminosalicylic acid, 99%; Mesalazina [Spanish]; p-Aminosalicylsaeure [German]; Mesavancol; Delzicol; Mesavance; Mezavant; Iialda; Mesalazine MMX; Mezavant XL; Mesalamine (USP); Pentasa (TN); 5-Aminosalicylicacid; Salofalk Granu-Stix; Apriso (TN); Asacol (TN); Canasa (TN); Lialda (TN); Rowasa (TN); CCRIS 7334; SR-01000763486; Mesalamine [USAN:USP]; EINECS 201-919-1; BRN 2090421; AI3-15564; 5-Aminosalicylic Acid, Purified; HSDB 7512; AJG-501; SPD 476; SPD-476; SPD-480; Mesalamine (TN); Delzicol (TN); Sfrowasa (TN); Mesalazine [INN]; mesalamine (USAN); Mesalamine (Lialda); 5-aminosalicylic_acid; MD-0901; 5-Aminosalicyclic acid; 5-amino-salicylic acid; PubChem17623; Mesalazine; ACMC-1BKFR; Prestwick0_001069; Prestwick1_001069; Prestwick2_001069; Prestwick3_001069; WLN: ZR DQ CVQ; Z-206; CHEMBL704; Mesalazine (JP17/INN); EC 201-919-1; cid_4075; Oprea1_847633; SCHEMBL31297; 3amino-6-hydroxybenzoic acid; BSPBio_001058; KBioGR_002425; KBioSS_002431; 4-14-00-02058 (Beilstein Handbook Reference); KSC448C0L; MLS000758287; 5-Aminosalicylic acid, 95%; 5-Aminosalicylic acid, tablet; ARONIS23914; BIDD:GT0811; 3-amino-6-hydroxybenzoic acid; SPBio_002969; BPBio1_001164; GTPL2700; ZINC1688; 5-Amino 2-hydroxy benzoic acid; DTXSID5024506; SCHEMBL18038934; 5-Aminosalicylic acid, >=99%; BDBM60918; CTK3E8105; KBio2_002425; KBio2_004993; KBio2_007561; KBio3_002904; cMAP_000045; HMS1571E20; HMS2051M21; HMS2090I09; HMS2098E20; HMS3393M21; HMS3649K15; HMS3651M15; HMS3715E20; Pharmakon1600-01505993; BCP05326; KS-00000CC5; KS-000048PQ; NSC38877; Tox21_110384; Tox21_201610; Tox21_303125; 5-?Aminosalicylic Acid (Mesalazine); ANW-39326; BBL013046; NSC759301; s1681; SBB052617; STK301678; AKOS000118959; Tox21_110384_1; AC-2764; BCP9000175; CCG-100829; DB00244; HS-0100; LS11426; MCULE-5752745805; NC00079; NSC-759301; NCGC00016344-01; NCGC00016344-02; NCGC00016344-04; NCGC00016344-05; NCGC00016344-07; NCGC00090934-01; NCGC00090934-02; NCGC00257142-01; NCGC00259159-01; 5-amino-2-hydroxobenzoic acid monohydrate; AK-72925; BP-13074; BR-72925; HY-15027; SC-15695; SY002854; 5-Aminosalicylic acid, analytical standard; ST4109571; A0317; AB00374979; AM20060091; FT-0619950; SW197303-4; 1764-EP2272825A2; 1764-EP2275420A1; C07138; D00377; M-7246; 24215-EP2289518A1; 24215-EP2295053A1; 24215-EP2295409A1; 24215-EP2314574A1; 24215-EP2314590A1; 90701-EP2371811A2; AB00374979-09; AB00374979-10; AB00374979_11; AB00374979_12; Q412479; Q-201355; SR-01000763486-3; SR-01000763486-4; SR-01000763486-9; Z57127471; F1918-0003

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Activity

IC50 > 10000000 nM

[1]

Compound Name

N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]morpholine-4-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4068124; SCHEMBL18530171; BDBM50246172

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Activity

Ki > 10000000 nM

[3]

Compound Name

2-Fluoroethanimidamide hydrochloride

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Investigative

Compound Info

Synonyms

CHEMBL1910974; 2-Fluoroacetamidine HCl; SCHEMBL1188732; 2-Fluoroacetamidine Hydrochloride; 2-Fluoroacetimidamide hydrochloride; MFCD08752301; 2-fluoro-acetamidine hydrochloride salt

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Activity

IC50 > 10000000 nM

[2]

Compound Name

N-[(2S)-1-(Benzylamino)-4-imidazol-1-yl-1-oxobutan-2-yl]furan-2-carboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4081389; SCHEMBL18530008; BDBM50246179

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Activity

Ki > 10000000 nM

[3]

Compound Name

N-[(2S)-4-(4-Methylpiperazin-1-yl)-1-oxo-1-(propan-2-ylamino)butan-2-yl]cyclohexanecarboxamide

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Investigative

Compound Info

Synonyms

CHEMBL4082498; SCHEMBL18529983; BDBM50246173

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Activity

Ki > 10000000 nM

[3]

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References

Top

REF 1

Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors. Bioorg Med Chem. 2008 Jan 15;16(2):739-45.

REF 2

The development of N-alpha-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-alpha-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors. J Med Chem. 2011 Oct 13;54(19):6919-35.

REF 3

Noncovalent Protein Arginine Deiminase (PAD) Inhibitors Are Efficacious in Animal Models of Multiple Sclerosis. J Med Chem. 2017 Nov 9;60(21):8876-8887.

REF 4

Inhibitors of protein arginine deiminases and their efficacy in animal models of multiple sclerosis. Bioorg Med Chem. 2017 May 1;25(9):2643-2656.

REF 5

Synthesis and Biological Evaluation of an Indazole-Based Selective Protein Arginine Deiminase 4 (PAD4) Inhibitor. ACS Med Chem Lett. 2018 Sep 14;9(10):1013-1018.

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