Drug Information

Drug General Information
Drug ID
D0R5QX
Former ID
DNC012836
Drug Name
AcAsp-Glu-Dif-Ile-Cha-Cys-Iqc-Nle-Thr-TyrNH2
Indication Discovery agent Investigative [527362]
Structure
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2D MOL

3D MOL
Formula
C72H95N11O17S
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(CC4CCCCC4)NC(=O)C(C(C<br />)CC)NC(=O)C(C(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C(CCC(=O)O)<br />NC(=O)C(CC(=O)O)NC(=O)C
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
InChIKey
NAFMHFOWWVFCTM-BPJKRSAYSA-N
PubChem Compound ID
16133705
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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