Details of the Drug

General Information of Drug (ID: DM5ZR4Q)

• Drug Name: PSI-938
• Synonyms: PSI-352938; PSI-938; UNII-3Z30JH9QX1; 3Z30JH9QX1; PSI938; PSI 938; 1231747-17-3; 1199809-32-9; SCHEMBL2679397; CHEMBL2160007; CS-6672; HY-15231; Guanosine, 2'-deoxy-6-O-ethyl-2'-fluoro-2'-methyl-, cyclic 3',5'-(1-methylethyl (R)-phosphate), (2'R)-; 9-[(4aR,6R,7R,7aR)-7-Fluoro-2-isopropoxy-7-methyl-2-oxo-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxy-purin-2-amine

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 431.36
  Logarithm of the Partition Coefficient (xlogp); 0.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 11
• Chemical Identifiers:
  Formula: C16H23FN5O6P
  IUPAC Name: 9-[(4aR,6R,7R,7aR)-7-fluoro-7-methyl-2-oxo-2-propan-2-yloxy-4,4a,6,7a-tetrahydrofuro[3,2-d][1,3,2]dioxaphosphinin-6-yl]-6-ethoxypurin-2-amine
  Canonical SMILES: CCOC1=NC(=NC2=C1N=CN2[C@H]3[C@]([C@H]4[C@H](O3)COP(=O)(O4)OC(C)C)(C)F)N
  InChI: InChI=1S/C16H23FN5O6P/c1-5-24-13-10-12(20-15(18)21-13)22(7-19-10)14-16(4,17)11-9(26-14)6-25-29(23,28-11)27-8(2)3/h7-9,11,14H,5-6H2,1-4H3,(H2,18,20,21)/t9-,11-,14-,16-,29?/m1/s1
  InChIKey: PVRFQJIRERYGTQ-UYISCHNFSA-N
• Cross-matching ID:
  PubChem CID: 46863668
  CAS Number: 1231747-17-3
  TTD ID: D06QOA

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	[1]

References

• [1] 2011 Pipeline of Pharmasset.