Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D09JCT
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| Former ID |
DNC012774
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| Drug Name |
AcAsp-Glu-Met-Glu-Glu-Cys
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| Synonyms |
CHEMBL62717; AcAsp-Glu-Met-Glu-Glu-Cys; AC1LA8TV; Ac-Asp-Glu-Met-Glu-Glu-Cys-OH; BDBM50084634; 4-(2-Acetylamino-3-carboxy-propionylamino)-4-(1-{3-carboxy-1-[3-carboxy-1-(1-carboxy-2-mercapto-ethylcarbamoyl)-propylcarbamoyl]-propylcarbamoyl}-3-methylsulfanyl-propylcarbamoyl)-butyric acid(NS4A-NS4B)
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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 |
C29H44N6O16S2
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| Canonical SMILES |
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CS)C(=O)O
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| InChI |
1S/C29H44N6O16S2/c1-13(36)30-18(11-23(43)44)28(49)33-15(4-7-21(39)40)25(46)34-17(9-10-53-2)27(48)32-14(3-6-20(37)38)24(45)31-16(5-8-22(41)42)26(47)35-19(12-52)29(50)51/h14-19,52H,3-12H2,1-2H3,(H,30,36)(H,31,45)(H,32,48)(H,33,49)(H,34,46)(H,35,47)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,50,51)/t14-,15-,16-,17-,18-,19-/m0/s1
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| InChIKey |
VGFHUYLCQHZNFZ-DYKIIFRCSA-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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