(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-oxo-6-[[3-[2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]ethylcarbamoyl]-5-[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]ethylcarbamoyl]phenyl]methylamino]hexyl]indole-5-sulfonate

InChIKey	`KFMIEAZKENMLEL-UHFFFAOYSA-N`
Compound Name	(2E)-2-[(2E,4E)-5-[3,3-dimethyl-1-(4-sulfobutyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-3,3-dimethyl-1-[6-oxo-6-[[3-[2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]ethylcarbamoyl]-5-[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]ethylcarbamoyl]phenyl]methylamino]hexyl]indole-5-sulfonate
Canonical SMILES	`CC1(C)C(/C=C/C=C/C=C2/N(CCCCCC(=O)NCc3cc(C(=O)NCCN4CCC(N5CCC(n6c(=O)[nH]c7ccccc76)CC5)CC4)cc(C(=O)NCCN4CCN(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc76)CC5)CC4)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	8.32
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P08172	CHRM2	Homo sapiens	Human	PF00001	9.2	Kd	ChEMBL;BindingDB
P11229	CHRM1	Homo sapiens	Human	PF00001	8.6	Ki	ChEMBL;BindingDB
P08173	CHRM4	Homo sapiens	Human	PF00001	8.6	Ki	ChEMBL;BindingDB
P20309	CHRM3	Homo sapiens	Human	PF00001	7.7	Ki	ChEMBL;BindingDB
P08912	CHRM5	Homo sapiens	Human	PF00001	7.5	Ki	ChEMBL;BindingDB