Structure

InChI Key LCHMHYPWGWYXEL-ZYADHFCISA-N
Smile COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3cc(-c4ccc5nc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc3c2)[nH]1)C(C)C
InChI
InChI=1S/C42H50N8O6/c1-23(2)35(47-41(53)55-5)39(51)49-17-7-9-33(49)37-43-22-32(46-37)29-14-13-25-19-26(11-12-27(25)20-29)28-15-16-30-31(21-28)45-38(44-30)34-10-8-18-50(34)40(52)36(24(3)4)48-42(54)56-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54)/t33-,34-,35-,36-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C42H50N8O6
Molecular Weight 762.91
AlogP 6.86
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 10.0
Polar Surface Area 174.64
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 56.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Nonstructural protein 5A inhibitor PubMed PubMed

Indications

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

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
ChEMBL CHEMBL3121849
DrugBank DB15652
FDA SRS AL3G001BI8
PubChem 52918888
SureChEMBL SCHEMBL7603463