Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0P8YC
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| Former ID |
DNC000274
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| Drug Name |
Batimastat
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| Synonyms |
batimastat; 130370-60-4; BB-94; Batimastat (BB-94); BB 94; UNII-BK349F52C9; BB94; Batimastat(BB-94); C23H31N3O4S2; CHEMBL279786; BK349F52C9; Butanediamide, N4-hydroxy-N1-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2R-(1(S*),2R*,3S*))-; 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE; (2S,3R)-5-Methyl-3-(((alphaS)-alpha-(methylcarbamoyl)phenethyl)carbamoyl)-2-((2-thienylthio)methyl)hexanohydroxamic acid
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| Drug Type |
Small molecular drug
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| Indication | Idiopathic pulmonary fibrosis [ICD-11: CB03.4; ICD-10: J84.1; ICD-9: 516.3] | Preclinical | [1] | |
| Company |
Pfizer
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| Structure |
 |
Download2D MOL |
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| Formula |
C23H31N3O4S2
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| Canonical SMILES |
CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC
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| InChI |
1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1
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| InChIKey |
XFILPEOLDIKJHX-QYZOEREBSA-N
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| CAS Number |
CAS 130370-60-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
617010, 823552, 831861, 7886067, 7887202, 11654077, 12014769, 14785515, 14834635, 17397216, 17436153, 26704647, 26708598, 39384498, 46393087, 46394309, 46484783, 46505727, 49895572, 50753607, 53789458, 57362101, 99030143, 99234257, 103185379, 103959090, 114150040, 135017130, 135724710, 140242052, 160966956, 163123386, 163614719, 163685800, 165247760, 171572172, 174006368, 177748633, 178101837, 179149788, 198990112, 204379963, 208265318, 210274883, 210280518, 223391564, 223657444, 223704620, 223704621, 226396350
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Matrix metalloproteinase-3 (MMP-3) | Target Info | Modulator | [2] |
| KEGG Pathway | TNF signaling pathway | |||
| Transcriptional misregulation in cancer | ||||
| Rheumatoid arthritis | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL4 Signaling Pathway | ||||
| Panther Pathway | Plasminogen activating cascade | |||
| CCKR signaling map ST | ||||
| Pathway Interaction Database | Posttranslational regulation of adherens junction stability and dissassembly | |||
| p75(NTR)-mediated signaling | ||||
| Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | ||||
| Reactome | Collagen degradation | |||
| Degradation of the extracellular matrix | ||||
| Activation of Matrix Metalloproteinases | ||||
| Assembly of collagen fibrils and other multimeric structures | ||||
| EGFR Transactivation by Gastrin | ||||
| WikiPathways | Activation of Matrix Metalloproteinases | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Oncostatin M Signaling Pathway | ||||
| Matrix Metalloproteinases | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs and Targets in Fibrosis. Front Pharmacol. 2017 Nov 23;8:855. | |||
| REF 2 | Matrix metalloproteinase inhibitor BB-94 (batimastat) inhibits human colon tumor growth and spread in a patient-like orthotopic model in nude mice. Cancer Res. 1994 Sep 1;54(17):4726-8. | |||
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