FURAPREVIR

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0UMM44REU9

Structure
InChI Key GZRNOYTVBWWFLJ-NTPALUMKSA-N
Smile CC(C)Oc1ccc(-c2nc(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6(C)CC6)C[C@H]5/C=C\CCCCC[C@H](NC(=O)OC5CCCC5)C(=O)N4C3)c3oc4ccccc4c3n2)cc1
InChI
InChI=1S/C47H56N6O10S/c1-28(2)60-32-21-19-29(20-22-32)40-49-38-34-16-11-12-18-37(34)63-39(38)42(50-40)61-33-25-36-41(54)51-47(44(56)52-64(58,59)46(3)23-24-46)26-30(47)13-7-5-4-6-8-17-35(43(55)53(36)27-33)48-45(57)62-31-14-9-10-15-31/h7,11-13,16,18-22,28,30-31,33,35-36H,4-6,8-10,14-15,17,23-27H2,1-3H3,(H,48,57)(H,51,54)(H,52,56)/b13-7-/t30-,33-,35+,36+,47-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C47H56N6O10S
Molecular Weight 897.06
AlogP 6.61
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 208.36
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 64.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 3 D006526 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297647
DrugBank DB12785
FDA SRS 0UMM44REU9
PubChem 51037069
SureChEMBL SCHEMBL6857175
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