Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0R5QX
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| Former ID |
DNC012836
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| Drug Name |
AcAsp-Glu-Dif-Ile-Cha-Cys-Iqc-Nle-Thr-TyrNH2
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| Synonyms |
N-{[(3R)-2-(N-Acetyl-L-alpha-aspartyl-L-alpha-glutamyl-3,3-diphenyl-L-alanyl-L-alloisoleucyl-3-cyclohexyl-L-alanyl-L-cysteinyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-norleucyl-L-seryl-L-tyrosinamide
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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 |
C72H95N11O17S
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| Canonical SMILES |
CCCCC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C(CS)NC(=O)C(CC4CCCCC4)NC(=O)C(C(C)CC)NC(=O)C(C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C
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| InChI |
1S/C72H95N11O17S/c1-5-7-27-50(64(92)79-55(39-84)68(96)77-52(63(73)91)34-44-28-30-49(86)31-29-44)76-69(97)57-36-47-25-17-18-26-48(47)38-83(57)72(100)56(40-101)80-66(94)53(35-43-19-11-8-12-20-43)78-70(98)61(41(3)6-2)81-71(99)62(60(45-21-13-9-14-22-45)46-23-15-10-16-24-46)82-65(93)51(32-33-58(87)88)75-67(95)54(37-59(89)90)74-42(4)85/h9-10,13-18,21-26,28-31,41,43,50-57,60-62,84,86,101H,5-8,11-12,19-20,27,32-40H2,1-4H3,(H2,73,91)(H,74,85)(H,75,95)(H,76,97)(H,77,96)(H,78,98)(H,79,92)(H,80,94)(H,81,99)(H,82,93)(H,87,88)(H,89,90)/t41?,50-,51-,52-,53-,54-,55-,56-,57+,61-,62-/m0/s1
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| InChIKey |
NAFMHFOWWVFCTM-BPJKRSAYSA-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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