Drug Information

Drug General Information
Drug ID
D00TLP
Former ID
DNCL003637
Drug Name
Simeprevir
Synonyms
TMC436
Drug Type
Small molecular drug
Indication Chronic HCV infection [ICD9: 070.4, 070.5, 070.70; ICD10:B17.1, B18.2] Approved [542389], [551871]
Therapeutic Class
Antiinfective Agents
Company
Johnson & Johnson
Formula
C38H47N5O7S2
InChI
InChI=1S/C38H47N5O7S2/c1-21(2)30-20-51-35(40-30)29-18-32(26-13-14-31(49-5)22(3)33(26)39-29)50-24-16-27-28(17-24)36(45)43(4)15-9-7-6-8-10-23-19-38(23,41-34(27)44)37(46)42-52(47,48)25-11-12-25/h8,10,13-14,18,20-21,23-25,27-28H,6-7,9,11-12,15-17,19H2,1-5H3,(H,41,44)(H,42,46)/b10-8-/t23-,24-,27-,28-,38-/m1/s1
InChIKey
JTZZSQYMACOLNN-VDWJNHBNSA-N
PubChem Compound ID
24873435
PubChem Substance ID
50128567, 57162026, 87551010, 89449495, 103036128, 103587944, 125086606, 172919732, 178103939, 184811997, 198993775, 227100350, 252166971, 252216313, 252237489, 252480943
Drug Resistance Mutation (DRM)
DRM DRM Info
Target and Pathway
Target(s) Hepatitis C virus serine protease NS3/4A Target Info Modulator [532651]
References
Ref 542389(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7367).
Ref 551871Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Ref 5326512013 FDA drug approvals. Nat Rev Drug Discov. 2014 Feb;13(2):85-9.

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