Drug Information

Drug General Information
Drug ID
D06KJR
Former ID
DNC012826
Drug Name
AcAsp-Glu-Dif-Glu-Cha-Fab
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C45H56F2N6O15
Canonical SMILES
CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C1=CC=CC=C1<br />)C2=CC=CC=C2)C(=O)NC(CCC(=O)O)C(=O)NC(CC3CCCCC3)C(=O)NC<br />(CC(F)F)C(=O)C(=O)O
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
InChIKey
FIGPTAABOPCRSH-BHTNCQBCSA-N
PubChem Compound ID
457393
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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