4-[2-[(1E,3E,5E)-5-[1-[6-[[3,5-bis[2-[3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]propanoylamino]ethylcarbamoyl]phenyl]methylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate

InChIKey	`IENFGCJKCCNIMB-UHFFFAOYSA-N`
Compound Name	4-[2-[(1E,3E,5E)-5-[1-[6-[[3,5-bis[2-[3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]propanoylamino]ethylcarbamoyl]phenyl]methylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]butane-1-sulfonate
Canonical SMILES	`CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)cc(C(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)cn4)c3)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCCS(=O)(=O)[O-])c2ccccc21`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Homologous
Avg pChEMBL	7.66
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08172	CHRM2	Homo sapiens	Human	PF00001	8.5	Kd	ChEMBL;BindingDB
P11229	CHRM1	Homo sapiens	Human	PF00001	8.3	Kd	ChEMBL;BindingDB
P08173	CHRM4	Homo sapiens	Human	PF00001	8.0	IC50	ChEMBL;BindingDB
P20309	CHRM3	Homo sapiens	Human	PF00001	7.1	Ki	ChEMBL;BindingDB
P08912	CHRM5	Homo sapiens	Human	PF00001	6.4	Ki	ChEMBL;BindingDB