FILIBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 198J479Y2L

Structure
InChI Key SLVAPEZTBDBAPI-GDLZYMKVSA-N
Smile CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1
InChI
InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H37N5O3
Molecular Weight 503.65
AlogP 5.12
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 102.5
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 2 D006526 ClinicalTrials
Hepatitis C, Chronic 1 D019698 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 877130-28-4
ChEMBL CHEMBL490672
DrugBank DB11878
FDA SRS 198J479Y2L
PDB AG0
PubChem 54708673
SureChEMBL SCHEMBL1464441
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