BALAPIRAVIR

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Synonyms
Status
Molecule Category Free-form
UNII VOT0LP7I9K
EPA CompTox DTXSID40219098

Structure

InChI Key VKXWOLCNTHXCLF-DXEZIKHYSA-N
Smiles CC(C)C(=O)OC[C@@]1(N=[N+]=[N-])O[C@@H](n2ccc(N)nc2=O)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H30N6O8
Molecular Weight 494.51
AlogP 1.7
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 197.8
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 112
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 112

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL550936
DrugBank DB12283
FDA SRS VOT0LP7I9K
PubChem 11691726
SureChEMBL SCHEMBL1171868
ZINC ZINC000035328439
CONTENTS