RADALBUVIR

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 273K4V0SPC

Structure
InChI Key MUICUPWICXUNRS-GDCCIXDYSA-N
Smile CC1=CC[C@H](C(=O)N(c2cc(C#CC(C)(C)C)sc2C(=O)O)[C@H]2CC[C@](O)(CO[C@H]3CCOC3)CC2)CC1
InChI
InChI=1S/C30H41NO6S/c1-20-5-7-21(8-6-20)27(32)31(25-17-24(11-13-29(2,3)4)38-26(25)28(33)34)22-9-14-30(35,15-10-22)19-37-23-12-16-36-18-23/h5,17,21-23,35H,6-10,12,14-16,18-19H2,1-4H3,(H,33,34)/t21-,22-,23-,30+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H41NO6S
Molecular Weight 543.73
AlogP 5.4
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 96.3
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 38.0

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, Chronic 2 D019698 ClinicalTrials
Hepatitis C 1 D006526 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3121539
DrugBank DB12065
FDA SRS 273K4V0SPC
PubChem 53259022
SureChEMBL SCHEMBL12444696
ZINC ZINC000103267239
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