VALOPICITABINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: I2T0B5G94M

Structure
InChI Key TVRCRTJYMVTEFS-ICGCPXGVSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 640281-90-9
ChEMBL CHEMBL393820
DrugBank DB13920
EPA CompTox DTXSID70214011
FDA SRS I2T0B5G94M
PubChem 6918726
SureChEMBL SCHEMBL1378167
ZINC ZINC000053188593
CONTENTS