NARLAPREVIR

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2857LA2O07

Structure
InChI Key RICZEKWVNZFTNZ-LFGITCQGSA-N
Smile CCCC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1
InChI
InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24-,25-,26-,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H61N5O7S
Molecular Weight 707.98
AlogP 3.62
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 13.0
Polar Surface Area 170.85
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 49.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Hepatitis C virus serine protease, NS3/NS4A inhibitor PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease PA clan Serine protease S29 family Serine protease S29 regulatory subfamily
- - - 6 -
Enzyme Protease Serine protease Serine protease PA clan Serine protease S29 family
- - - 6 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hepatitis C 3 D006526 ClinicalTrials
Hepatitis C, Chronic 2 D019698 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 865466-24-6
ChEBI 173104
ChEMBL CHEMBL1255891
FDA SRS 2857LA2O07
PubChem 11857239
SureChEMBL SCHEMBL583183
ZINC ZINC000068151111
CONTENTS