Details of the Drug

General Information of Drug (ID: DMOALVR)

Drug Name
GSK-2485852
Synonyms
GL-60667; GSK-2485852A; NVP-LDI133; HCV RNA polymerase inhibitors, Genelabs/Novartis; NS5b non-nucleoside inhibitors (HCV infection), GSK/Novartis; NS5b non-nucleoside inhibitors (HCV), Genelabs/Novartis
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Terminated [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 554.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 9
Chemical Identifiers
Formula
C27H25BF2N2O6S
IUPAC Name
[4-[[[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-methylsulfonylamino]methyl]-2-fluorophenyl]boronic acid
Canonical SMILES
B(C1=C(C=C(C=C1)CN(C2=C(C=C3C(=C2)OC(=C3C(=O)NC)C4=CC=C(C=C4)F)C5CC5)S(=O)(=O)C)F)(O)O
InChI
InChI=1S/C27H25BF2N2O6S/c1-31-27(33)25-20-12-19(16-4-5-16)23(13-24(20)38-26(25)17-6-8-18(29)9-7-17)32(39(2,36)37)14-15-3-10-21(28(34)35)22(30)11-15/h3,6-13,16,34-35H,4-5,14H2,1-2H3,(H,31,33)
InChIKey
GDSKPIAEYNJODX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
53354790
ChEBI ID
CHEMBL3121193
CAS Number
1331942-30-3
TTD ID
D0GE2F
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatitis C virus RNA-directed RNA polymerase (HCV NS5B) TTMVBWH POLG_HCV1 Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800024593)
2 In vitro characterization of GSK2485852, a novel hepatitis C virus polymerase inhibitor. Antimicrob Agents Chemother. 2013 Nov;57(11):5216-24.