Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PT8O
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| Former ID |
DNC012776
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| Drug Name |
AcAsp-Glu-Dif-Lys-Cha-Cys
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| Synonyms |
CHEMBL294440; AcAsp-Glu-Dif-Lys-Cha-Cys; AC1LAAJ1; BDBM50096413; AcAsp-Glu-Dif(3,3-diphenylalanine)-Lys-Cha-(beta-cyclohexylalanine)-Cys; Ac-L-Asp-L-Glu-3,3-Diphenyl-L-Ala-L-Lys-3-cyclohexyl-L-Ala-L-Cys-OH; (4S)-4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-cyclohexyl-1-[[(2R)-1-hydroxy-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3,3-diphenylpropan-2-yl]amino]-5-oxopentanoic 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 |
C44H61N7O12S
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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(CCCCN)C(=O)NC(CC3CCCCC3)C(=O)NC(CS)C(=O)O
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| InChI |
1S/C44H61N7O12S/c1-26(52)46-33(24-36(55)56)42(60)47-31(20-21-35(53)54)40(58)51-38(37(28-15-7-3-8-16-28)29-17-9-4-10-18-29)43(61)48-30(19-11-12-22-45)39(57)49-32(23-27-13-5-2-6-14-27)41(59)50-34(25-64)44(62)63/h3-4,7-10,15-18,27,30-34,37-38,64H,2,5-6,11-14,19-25,45H2,1H3,(H,46,52)(H,47,60)(H,48,61)(H,49,57)(H,50,59)(H,51,58)(H,53,54)(H,55,56)(H,62,63)/t30-,31-,32-,33-,34-,38-/m0/s1
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| InChIKey |
MMHRSDHCRGNWNY-PHPRXEDMSA-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 | Inhibition of hepatitis C virus NS3 protease activity by product-based peptides is dependent on helicase domain. Bioorg Med Chem Lett. 2001 Jan 22;11(2):203-6. | |||
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