Drug Information

Drug General Information
Drug ID
D0VN0H
Former ID
DNC012835
Drug Name
AcGlu-Asp-Val-Val-Leu-Cys-Iqc-Nle-Thr-TyrNH2
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C59H87N11O17S
Canonical SMILES
CCCCC(C(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C<br />2CC3=CC=CC=C3CN2C(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(C(C)C)<br />NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C
InChI
1S/C59H87N11O17S/c1-9-10-15-38(51(79)66-43(28-71)55(83)64-41(50(60)78)25-34-16-18-37(73)19-17-34)63-56(84)45-26-35-13-11-12-14-36(35)27-70(45)59(87)44(29-88)67-54(82)42(24-30(2)3)65-57(85)48(31(4)5)69-58(86)49(32(6)7)68-53(81)40(21-23-47(76)77)62-52(80)39(61-33(8)72)20-22-46(74)75/h11-14,16-19,30-32,38-45,48-49,71,73,88H,9-10,15,20-29H2,1-8H3,(H2,60,78)(H,61,72)(H,62,80)(H,63,84)(H,64,83)(H,65,85)(H,66,79)(H,67,82)(H,68,81)(H,69,86)(H,74,75)(H,76,77)/t38-,39-,40-,41-,42-,43-,44-,45+,48-,49-/m0/s1
InChIKey
HGLKSJLIZCXTFK-SEAKOTFTSA-N
PubChem Compound ID
44388164
Target and Pathway
Target(s) Nonstructural protein NS3 Target Info Inhibitor [527362]
References
Ref 527362J Med Chem. 2005 Jan 13;48(1):1-20.Control of hepatitis C: a medicinal chemistry perspective.
Ref 527362J Med Chem. 2005 Jan 13;48(1):1-20.Control of hepatitis C: a medicinal chemistry perspective.

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