VALOPICITABINE

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Synonyms
Status
Molecule Category Free-form
UNII I2T0B5G94M
EPA CompTox DTXSID70214011

Structure

InChI Key TVRCRTJYMVTEFS-ICGCPXGVSA-N
Smiles CC(C)[C@H](N)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@]1(C)O
InChI
InChI=1S/C15H24N4O6/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22)/t8-,10+,11-,13-,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24N4O6
Molecular Weight 356.38
AlogP -1.64
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 162.92
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitor INHIBITOR PubMed

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL393820
DrugBank DB13920
FDA SRS I2T0B5G94M
PubChem 6918726
SureChEMBL SCHEMBL1378167
ZINC ZINC000053188593
CONTENTS