7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine

Molecule Details

InChIKey	`FDVSOQRNTAPCHB-UHFFFAOYSA-N`
Compound Name	7-[trans-4-(4-Methylpiperazin-1-Yl)cyclohexyl]-5-(4-Phenoxyphenyl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
Canonical SMILES	`CN1CCN(C2CCC(n3cc(-c4ccc(Oc5ccccc5)cc4)c4c(N)ncnc43)CC2)CC1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	40
Pfam Stratification	Cross-Family
Avg pChEMBL	7.28
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target Activities (40)

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P07948	LYN	Homo sapiens	Human	PF07714 PF00017 PF00018	9.5	IC50	BindingDB
Q06187	BTK	Homo sapiens	Human	PF00779 PF00169 PF07714 PF00017 PF00018	9.1	Ki	ChEMBL
P36888	FLT3	Homo sapiens	Human	PF00047 PF07714	8.8	Ki	ChEMBL
Q13882	PTK6	Homo sapiens	Human	PF07714 PF00017 PF00018	8.5	Ki	ChEMBL
P00519	ABL1	Homo sapiens	Human	PF08919 PF07714 PF00017 PF00018	8.4	Ki	ChEMBL
Q9H3Y6	SRMS	Homo sapiens	Human	PF07714 PF00017	8.2	Ki	ChEMBL
P07949	RET	Homo sapiens	Human	PF00028 PF07714 PF17756 PF17812 PF17813 PF22540	8.1	Ki	ChEMBL
Q15303	ERBB4	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	8.1	Ki	ChEMBL
P11362	FGFR1	Homo sapiens	Human	PF07679 PF00047 PF07714	8.0	Ki	ChEMBL
P04626	ERBB2	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	7.9	Ki	ChEMBL
P07333	CSF1R	Homo sapiens	Human	PF00047 PF25305 PF07714	7.8	Ki	ChEMBL
P10721	KIT	Homo sapiens	Human	PF00047 PF07714	7.8	Ki	ChEMBL
P22607	FGFR3	Homo sapiens	Human	PF21165 PF07679 PF13927 PF07714	7.6	Ki	ChEMBL
P48730	CSNK1D	Homo sapiens	Human	PF00069	7.6	Ki	ChEMBL
Q08881	ITK	Homo sapiens	Human	PF00779 PF00169 PF07714 PF00017 PF00018	7.6	Ki	ChEMBL
P00533	EGFR	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	7.5	Ki	ChEMBL
P17948	FLT1	Homo sapiens	Human	PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	7.5	Ki	ChEMBL
P35916	FLT4	Homo sapiens	Human	PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854	7.5	Ki	ChEMBL
P35968	KDR	Homo sapiens	Human	PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854	7.5	Ki	ChEMBL
O96017	CHEK2	Homo sapiens	Human	PF00498 PF00069	7.2	Ki	ChEMBL
Q9Y4K4	MAP4K5	Homo sapiens	Human	PF00780 PF00069	7.2	Ki	ChEMBL
Q9BZL6	PRKD2	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	7.1	Ki	ChEMBL
P30530	AXL	Homo sapiens	Human	PF00041 PF13927 PF07714	6.9	Ki	ChEMBL
O94806	PRKD3	Homo sapiens	Human	PF00130 PF00169 PF00069 PF25525	6.7	Ki	ChEMBL
O96013	PAK4	Homo sapiens	Human	PF00786 PF00069	6.7	Ki	ChEMBL
P16591	FER	Homo sapiens	Human	PF00611 PF07714 PF00017	6.7	Ki	ChEMBL
Q9UM73	ALK	Homo sapiens	Human	PF12810 PF00629 PF07714	6.7	Ki	ChEMBL
O95819	MAP4K4	Homo sapiens	Human	PF00780 PF00069	6.6	Ki	ChEMBL
P06213	INSR	Homo sapiens	Human	PF00757 PF17870 PF07714 PF01030	6.6	Ki	ChEMBL
Q13188	STK3	Homo sapiens	Human	PF11629 PF00069	6.6	Ki	ChEMBL
Q7KZI7	MARK2	Homo sapiens	Human	PF02149 PF00069 PF00627	6.6	Ki	ChEMBL
Q13153	PAK1	Homo sapiens	Human	PF00786 PF00069	6.5	Ki	ChEMBL
Q16288	NTRK3	Homo sapiens	Human	PF07679 PF00047 PF13855 PF16920 PF01462 PF07714	6.5	Ki	ChEMBL
Q14680	MELK	Homo sapiens	Human	PF02149 PF00069 PF21594	6.4	Ki	ChEMBL
Q96GD4	AURKB	Homo sapiens	Human	PF00069	6.4	Ki	ChEMBL
P27448	MARK3	Homo sapiens	Human	PF02149 PF00069 PF00627	6.3	Ki	ChEMBL
P53667	LIMK1	Homo sapiens	Human	PF00412 PF00595 PF07714	6.3	Ki	ChEMBL
Q9NWZ3	IRAK4	Homo sapiens	Human	PF07714	6.2	Ki	ChEMBL
P23443	RPS6KB1	Homo sapiens	Human	PF00069 PF00433	6.1	Ki	ChEMBL
P08922	ROS1	Homo sapiens	Human	PF00041 PF07714	6.0	Ki	ChEMBL