Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K9BF
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| Former ID |
DNC012767
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| Drug Name |
AcAsp-Glu-Dif-Glu-Cha-Cys
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| Synonyms |
CHEMBL417559; Ac-Asp-Glu-Dif-Glu-Cha-Cys-OH; AcAsp-Glu-Dif-Glu-Cha-Cys; (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]-5-[[(1S)-1-benzhydryl-2-[[(1S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1R)-2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]amino]-2-oxo-ethyl]carbamoyl]-4-hydroxy-4-oxo-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid; AC1LA689; BDBM50084685; Ac-Asp-Glu-3,3-Diphenylalanine-GLu-beta-Cyclohexylalanine-Cys-OH; Ac-L-Asp-L-Glu-3,3-Diphenyl-L-Ala-L-Glu-3-cyclohexyl-L-Ala-L-Cys-OH
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C43H56N6O14S
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| Canonical SMILES |
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC(CS)C(=O)O
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| InChI |
1S/C43H56N6O14S/c1-24(50)44-31(22-35(55)56)41(60)45-29(18-20-34(53)54)39(58)49-37(36(26-13-7-3-8-14-26)27-15-9-4-10-16-27)42(61)46-28(17-19-33(51)52)38(57)47-30(21-25-11-5-2-6-12-25)40(59)48-32(23-64)43(62)63/h3-4,7-10,13-16,25,28-32,36-37,64H,2,5-6,11-12,17-23H2,1H3,(H,44,50)(H,45,60)(H,46,61)(H,47,57)(H,48,59)(H,49,58)(H,51,52)(H,53,54)(H,55,56)(H,62,63)/t28-,29-,30-,31-,32-,37-/m0/s1
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| InChIKey |
UJAUCRPOZPWCGV-XJJOYFJPSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Hepatitis C virus NS3 helicase (HCV NS3) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Control of hepatitis C: a medicinal chemistry perspective. J Med Chem. 2005 Jan 13;48(1):1-20. | |||
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