4-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-1-[6-oxo-6-[2-[4-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]piperazin-1-yl]ethylamino]hexyl]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate

InChIKey	`CLKYBOTWHCENMP-UHFFFAOYSA-N`
Compound Name	4-[(2Z)-2-[(2E,4E)-5-[3,3-dimethyl-1-[6-oxo-6-[2-[4-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]piperazin-1-yl]ethylamino]hexyl]indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
Canonical SMILES	`CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc65)CC4)CC3)c3ccccc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	7.56
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08172	CHRM2	Homo sapiens	Human	PF00001	8.1	Kd	ChEMBL;BindingDB
P11229	CHRM1	Homo sapiens	Human	PF00001	8.0	Ki	ChEMBL;BindingDB
P08173	CHRM4	Homo sapiens	Human	PF00001	7.7	IC50	ChEMBL;BindingDB
P20309	CHRM3	Homo sapiens	Human	PF00001	7.2	Ki	ChEMBL;BindingDB
P08912	CHRM5	Homo sapiens	Human	PF00001	6.8	Ki	ChEMBL;BindingDB