NARLAPREVIR

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Synonyms
Status
Molecule Category Free-form
UNII 2857LA2O07

Structure

InChI Key RICZEKWVNZFTNZ-LFGITCQGSA-N
Smiles 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

Mechanism of Action Action Reference
Hepatitis C virus serine protease, NS3/NS4A inhibitor 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 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus
40 - - 6 -
Hepatitis C virus subtype 1a
- - - 0.7 -
Hepatitis C virus subtype 1b
- - - 7 -
Hepatitis C virus subtype 2a
- - - 3 -
Hepatitis C virus subtype 3a
- - - 7 -

Cross References

Resources Reference
ChEBI 173104
ChEMBL CHEMBL1255891
FDA SRS 2857LA2O07
PubChem 11857239
SureChEMBL SCHEMBL583183
ZINC ZINC000068151111
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