(2S)-N-[[4-[(4,10-Dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide

InChIKey	`KSNHHKZYKYNBEI-NDEPHWFRSA-N`
Compound Name	(2S)-N-[[4-[(4,10-Dihydro-1-methylpyrazolo[3,4-b][1,5]benzodiazepin-5(1H)-yl)carbonyl]-2-methylphenyl]methyl]-2-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)thioxomethyl]-1-pyrrolidinecarboxamide
Canonical SMILES	`Cc1cc(C(=O)N2Cc3cnn(C)c3Nc3ccccc32)ccc1CNC(=O)N1CCC[C@H]1C(=S)N1CCCN(C)CC1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Homologous
Avg pChEMBL	6.44
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P30559	OXTR	Homo sapiens	Human	PF00001	6.8	Ki	ChEMBL;BindingDB
P37288	AVPR1A	Homo sapiens	Human	PF00001 PF08983	6.7	Ki	ChEMBL;BindingDB
P08173	CHRM4	Homo sapiens	Human	PF00001	6.6	Ki	ChEMBL
P08912	CHRM5	Homo sapiens	Human	PF00001	6.3	Ki	ChEMBL
P20309	CHRM3	Homo sapiens	Human	PF00001	6.2	Ki	ChEMBL
P35462	DRD3	Homo sapiens	Human	PF00001	6.0	Ki	ChEMBL