Drug Information
| Drug General Information | Top | |||
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| Drug ID |
DM16YT
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| Drug Name |
VX-166
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| Synonyms |
800408-39-3; (S)-3-((S)-2-(3-((methoxycarbonyl)amino)-2-oxopyridin-1(2H)-yl)butanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid; SCHEMBL473147; CHEMBL1935078; ZINC82158134; (3S)-3-[[(2S)-2-[3-(methoxycarbonylamino)-2-oxopyridin-1-yl]butanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Hepatic fibrosis [ICD-11: DB93.0; ICD-10: K74.0; ICD-9: 709.2] | Preclinical | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C22H21F4N3O8
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| Canonical SMILES |
CCC(C(=O)NC(CC(=O)O)C(=O)COC1=C(C(=CC(=C1F)F)F)F)N2C=CC=C(C2=O)NC(=O)OC
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| InChI |
1S/C22H21F4N3O8/c1-3-14(29-6-4-5-12(21(29)34)28-22(35)36-2)20(33)27-13(8-16(31)32)15(30)9-37-19-17(25)10(23)7-11(24)18(19)26/h4-7,13-14H,3,8-9H2,1-2H3,(H,27,33)(H,28,35)(H,31,32)/t13-,14-/m0/s1
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| InChIKey |
WQNDPVUOABHOHK-KBPBESRZSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Caspase (CASP) | Target Info | Inhibitor | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Drugs and Targets in Fibrosis. Front Pharmacol. 2017 Nov 23;8:855. | |||
| REF 2 | VX-166: a novel potent small molecule caspase inhibitor as a potential therapy for sepsis. Crit Care. 2009;13(5):R146. | |||
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