Drug Information

Drug General Information
Drug ID
D06KJQ
Former ID
DCL001157
Drug Name
BI 201335
Drug Type
Small molecular drug
Indication HCV infection [ICD9: 070.4, 070.5, 070.70; ICD10:B17.1, B18.2] Phase 3 [550385]
Company
Boehringer Ingelheim Pharma
Structure
Download
2D MOL

3D MOL
Formula
C40H49BrN6O9S
Canonical SMILES
CC(C)C(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4C<br />C(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C<br />(=O)O
InChI
1S/C40H49BrN6O9S/c1-8-21-17-40(21,36(51)52)46-34(49)27-15-23(18-47(27)35(50)32(39(4,5)6)44-38(53)56-22-11-9-10-12-22)55-29-16-25(26-19-57-37(43-26)45-33(48)20(2)3)42-31-24(29)13-14-28(54-7)30(31)41/h8,13-14,16,19-23,27,32H,1,9-12,15,17-18H2,2-7H3,(H,44,53)(H,46,49)(H,51,52)(H,43,45,48)/t21-,23-,27+,32-,40-/m1/s1
InChIKey
LLGDPTDZOVKFDU-XUHJSTDZSA-N
PubChem Compound ID
42601552
PubChem Substance ID
74374435, 86443437, 99431656, 104171003, 123099410, 125086647, 140700077, 198971781, 223717124, 226575332, 245481016
Drug Resistance Mutation (DRM)
DRM DRM Info
Target and Pathway
Target(s) HIV protease Target Info Inhibitor [550385]
References
Ref 5503852011 Pipeline of Boehringer Ingelheim Pharma.
Ref 5503852011 Pipeline of Boehringer Ingelheim Pharma.

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