N-[1-(3-methoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

Molecule Details

InChIKey	`XSRHBCYNCKAFKS-UHFFFAOYSA-N`
Compound Name	N-[1-(3-methoxyphenyl)ethyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
Canonical SMILES	`COc1cccc(C(C)NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)c1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	45
Pfam Stratification	Cross-Family
Avg pChEMBL	6.74
Source	ChEMBL

2D Structure

Activity Profile

Target Activities (45)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q13464	ROCK1	Homo sapiens	Human	PF25346 PF00069 PF08912	8.1	Ki	ChEMBL
Q05655	PRKCD	Homo sapiens	Human	PF00130 PF21494 PF00069 PF00433	8.0	Ki	ChEMBL
P17612	PRKACA	Homo sapiens	Human	PF00069	7.9	Ki	ChEMBL
Q9HBY8	SGK2	Homo sapiens	Human	PF00069 PF00433	7.7	Ki	ChEMBL
Q16513	PKN2	Homo sapiens	Human	PF02185 PF00069 PF00433	7.6	Ki	ChEMBL
Q96GD4	AURKB	Homo sapiens	Human	PF00069	7.5	Ki	ChEMBL
O14757	CHEK1	Homo sapiens	Human	PF00069	7.4	Ki	ChEMBL
P05129	PRKCG	Homo sapiens	Human	PF00130 PF00168 PF00069 PF00433	7.4	Ki	ChEMBL
P23443	RPS6KB1	Homo sapiens	Human	PF00069 PF00433	7.4	Ki	ChEMBL
P51817	PRKX	Homo sapiens	Human	PF00069	7.4	Ki	ChEMBL
O95819	MAP4K4	Homo sapiens	Human	PF00780 PF00069	7.3	Ki	ChEMBL
O14965	AURKA	Homo sapiens	Human	PF00069	7.2	Ki	ChEMBL
P35916	FLT4	Homo sapiens	Human	PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	7.2	Ki	ChEMBL
P51812	RPS6KA3	Homo sapiens	Human	PF00069 PF00433	7.2	Ki	ChEMBL
Q5VT25	CDC42BPA	Homo sapiens	Human	PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433	7.1	Ki	ChEMBL
Q9HAZ1	CLK4	Homo sapiens	Human	PF00069	7.1	Ki	ChEMBL
Q12851	MAP4K2	Homo sapiens	Human	PF00780 PF00069	7.0	Ki	ChEMBL
Q9H2X6	HIPK2	Homo sapiens	Human	PF00069	6.9	Ki	ChEMBL
Q13627	DYRK1A	Homo sapiens	Human	PF00069	6.8	Ki	ChEMBL
P28482	MAPK1	Homo sapiens	Human	PF00069	6.7	Ki	ChEMBL
P49840	GSK3A	Homo sapiens	Human	PF00069	6.7	Ki	ChEMBL
Q13131	PRKAA1	Homo sapiens	Human	PF16579 PF21147 PF00069	6.7	Ki	ChEMBL
P49760	CLK2	Homo sapiens	Human	PF00069	6.6	Ki	ChEMBL
P49841	GSK3B	Homo sapiens	Human	PF00069	6.6	Ki	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	6.5	Ki	ChEMBL
Q13237	PRKG2	Homo sapiens	Human	PF00027 PF00069	6.5	Ki	ChEMBL
Q13976	PRKG1	Homo sapiens	Human	PF00027 PF16808 PF00069	6.5	Ki	ChEMBL
Q16288	NTRK3	Homo sapiens	Human	PF07679 PF00047 PF13855 PF16920 PF01462 PF07714	6.5	Ki	ChEMBL
O96017	CHEK2	Homo sapiens	Human	PF00498 PF00069	6.3	Ki	ChEMBL
Q9BZL6	PRKD2	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.3	Ki	ChEMBL
Q00535	CDK5	Homo sapiens	Human	PF00069	6.2	Ki	ChEMBL
Q9H2G2	SLK	Homo sapiens	Human	PF00069 PF12474	6.2	Ki	ChEMBL
Q9HBH9	MKNK2	Homo sapiens	Human	PF00069	6.2	Ki	ChEMBL
Q9Y243	AKT3	Homo sapiens	Human	PF00169 PF00069 PF00433	6.2	Ki	ChEMBL
P06493	CDK1	Homo sapiens	Human	PF00069	6.1	Ki	ChEMBL
P07949	RET	Homo sapiens	Human	PF00028 PF07714 PF17756 PF17812 PF17813 PF22540	6.1	Ki	ChEMBL
P51617	IRAK1	Homo sapiens	Human	PF00531 PF00069	6.1	Ki	ChEMBL
P51957	NEK4	Homo sapiens	Human	PF00069	6.1	Ki	ChEMBL
Q7KZI7	MARK2	Homo sapiens	Human	PF02149 PF00069 PF00627	6.1	Ki	ChEMBL
Q9NWZ3	IRAK4	Homo sapiens	Human	PF07714	6.1	Ki	ChEMBL
P11309	PIM1	Homo sapiens	Human	PF00069	6.0	Ki	ChEMBL
P27448	MARK3	Homo sapiens	Human	PF02149 PF00069 PF00627	6.0	Ki	ChEMBL
Q8NE63	HIPK4	Homo sapiens	Human	PF00069	6.0	Ki	ChEMBL
Q9BXA7	TSSK1B	Homo sapiens	Human	PF00069	6.0	Ki	ChEMBL
Q9Y4K4	MAP4K5	Homo sapiens	Human	PF00780 PF00069	6.0	Ki	ChEMBL