Details of the Drug

General Information of Drug (ID: DMAJPOX)

Drug Name
Balapiravir
Synonyms
Balapiravir hydrochloride; HCV NS5B polymerase inhibitor, Roche; RO4588161-001; RNA polymerase inhibitor (HCV infection), Roche; RNA polymerase inhibitor (hepatitis C infection), Roche; R-1479 prodrug (HCV infection), Roche
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
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 494.5
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C21H30N6O8
IUPAC Name
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-azido-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate
Canonical SMILES
CC(C)C(=O)OC[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]
InChI
InChI=1S/C21H30N6O8/c1-10(2)17(28)32-9-21(25-26-23)15(34-19(30)12(5)6)14(33-18(29)11(3)4)16(35-21)27-8-7-13(22)24-20(27)31/h7-8,10-12,14-16H,9H2,1-6H3,(H2,22,24,31)/t14-,15+,16-,21-/m1/s1
InChIKey
VKXWOLCNTHXCLF-DXEZIKHYSA-N
Cross-matching ID
PubChem CID
11691726
CAS Number
690270-29-2
UNII
VOT0LP7I9K
DrugBank ID
DB12283
TTD ID
D01FUL
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP 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 ClinicalTrials.gov (NCT01096576) A Study of Balapiravir in Patients With Dengue Virus Infection. U.S. National Institutes of Health.
2 R-1626, a specific oral NS5B polymerase inhibitor of hepatitis C virus. IDrugs. 2008 Oct;11(10):738-49.