(2R,12Z,13aS,14aR,16aS)-2-({8-Chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-N-(cyclopropylsulfonyl)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[g]pyrrolo[1,2-c][1,3,6]triazacyclopentadecine-14a(5H)-carboxamide

InChIKey	`NSICSOQWNRELKK-ZRLZNKEGSA-N`
Compound Name	(2R,12Z,13aS,14aR,16aS)-2-({8-Chloro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-N-(cyclopropylsulfonyl)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[g]pyrrolo[1,2-c][1,3,6]triazacyclopentadecine-14a(5H)-carboxamide
Canonical SMILES	`COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5/C=C\CCCCCNC(=O)N4C3)cc(-c3nc(C(C)C)cs3)nc2c1Cl`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	10.0
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
A3EZI9	NS3	Hepacivirus hominis	Pathogen	PF07652 PF22027 PF02907	10.0	Ki	ChEMBL
B0B3F0	NS3/4A	Hepacivirus hominis	Pathogen	PF07652 PF01006 PF22027 PF02907	10.0	Ki	BindingDB
D2K2A8	NS4A	Hepacivirus hominis	Pathogen	PF01006	10.0	Ki	ChEMBL
K7XGM7		Hepacivirus hominis	Pathogen	PF07652 PF01006 PF22027 PF02907	10.0	Ki	BindingDB