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]

• #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
  CAS Number: 1331942-30-3
  TTD ID: D0GE2F

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]

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.