Details of the Drug

General Information of Drug (ID: DMAWDZZ)

Drug Name
Samatasvir
Synonyms MK-1894
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C47H48N8O6S2
Canonical SMILES
CC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)NC(=O)OC
InChI
InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1
InChIKey
ATOLIHZIXHZSBA-BTSKBWHGSA-N
Cross-matching ID
PubChem CID
58310140
CAS Number
1312547-19-5
UNII
21P699C5FC
DrugBank ID
DB12660
TTD ID
D0F9IX
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

References

1 ClinicalTrials.gov (NCT01813552) To Evaluate the Effect of Ritonavir or Omeprazole on the Pharmacokinetics of Samatasvir (IDX719) in Healthy Participants (MK-1894-006). U.S. National Institutes of Health.