N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)-1-hydroxybut-2-enyl]amino]benzamide

InChIKey	`GGKAQFSAJDFYOL-IZZDOVSWSA-N`
Compound Name	N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)-1-hydroxybut-2-enyl]amino]benzamide
Canonical SMILES	`CN(C)C/C=C/C(O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	6.29
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P50613	CDK7	Homo sapiens	Human	PF00069	6.6	IC50	ChEMBL
Q14004	CDK13	Homo sapiens	Human	PF00069	6.2	IC50	ChEMBL
Q9NYV4	CDK12	Homo sapiens	Human	PF00069	6.0	IC50	ChEMBL