VOXILAPREVIR

Search structure
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0570F37359

Structure
InChI Key MKDALIOACIEUJM-XCFCBFDASA-N
Smile CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(C)C)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O
InChI
InChI=1S/C42H58F2N6O9S/c1-9-25-30-21-50(31(25)34(51)48-41(20-26(41)22(2)3)37(53)49-60(55,56)40(7)16-17-40)36(52)33(39(4,5)6)47-38(54)59-29-18-23(29)12-10-11-15-42(43,44)32-35(58-30)46-28-19-24(57-8)13-14-27(28)45-32/h13-14,19,22-23,25-26,29-31,33H,9-12,15-18,20-21H2,1-8H3,(H,47,54)(H,48,51)(H,49,53)/t23-,25-,26+,29-,30+,31+,33-,41-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H58F2N6O9S
Molecular Weight 861.02
AlogP 5.35
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 8.0
Polar Surface Area 195.22
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 60.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatitis C virus serine protease, NS3/NS4A inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C, Chronic 4 D019698 FDA
Hepatitis C 1 D006526 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3707372
FDA SRS 0570F37359
PubChem 89921642
ZINC ZINC000473235125
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