Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06KJR
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| Former ID |
DNC012826
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| Drug Name |
AcAsp-Glu-Dif-Glu-Cha-Fab
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| Synonyms |
CHEMBL349186; AcAsp-Glu-Dif-Glu-Cha-Fab; AC1L9WIG; BDBM50110121; Ac-L-Asp-L-Glu-3,3-Diphenyl-L-Ala-L-Glu-3-cyclohexyl-L-Ala-[(3S)-2-oxo-3-(2,2-difluoroethyl)-betaAla-]-OH; 3-[2-(2-{2-[2-(2-Acetylamino-3-carboxy-propionylamino)-4-carboxy-butyrylamino]-3,3-diphenyl-propionylamino}-4-carboxy-butyrylamino)-3-cyclohexyl-propionylamino]-5,5-difluoro-2-oxo-pentanoic acid
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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 |
C45H56F2N6O15
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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(CC(F)F)C(=O)C(=O)O
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| InChI |
1S/C45H56F2N6O15/c1-24(54)48-32(23-36(59)60)43(65)49-29(18-20-35(57)58)41(63)53-38(37(26-13-7-3-8-14-26)27-15-9-4-10-16-27)44(66)50-28(17-19-34(55)56)40(62)52-31(21-25-11-5-2-6-12-25)42(64)51-30(22-33(46)47)39(61)45(67)68/h3-4,7-10,13-16,25,28-33,37-38H,2,5-6,11-12,17-23H2,1H3,(H,48,54)(H,49,65)(H,50,66)(H,51,64)(H,52,62)(H,53,63)(H,55,56)(H,57,58)(H,59,60)(H,67,68)/t28-,29-,30-,31-,32-,38-/m0/s1
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| InChIKey |
FIGPTAABOPCRSH-BHTNCQBCSA-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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