(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,11,13,18,20-heptaene-3-carbonitrile

InChIKey	`VXYZCOCRVAQWBG-VCANKDNSSA-N`
Compound Name	(16R)-19-amino-13-fluoro-4,8,16-trimethyl-9-oxo-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,11,13,18,20-heptaene-3-carbonitrile
Canonical SMILES	`C[C@H]1Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN(C)C(=O)C2C=CC(F)=CC21`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	15
Pfam Stratification	Cross-Family
Avg pChEMBL	8.02
Source	ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O95436	SLC34A2	Homo sapiens	Human	PF02690	9.7	IC50	ChEMBL
P08922	ROS1	Homo sapiens	Human	PF00041 PF07714	9.7	Ki	ChEMBL
Q9UM73	ALK	Homo sapiens	Human	PF12810 PF00629 PF07714	9.2	Ki	ChEMBL
P29376	LTK	Homo sapiens	Human	PF12810 PF07714	8.6	IC50	ChEMBL
P16591	FER	Homo sapiens	Human	PF00611 PF07714 PF00017	8.5	IC50	ChEMBL
P07332	FES	Homo sapiens	Human	PF00611 PF07714 PF00017	8.2	IC50	ChEMBL
Q14289	PTK2B	Homo sapiens	Human	PF21477 PF00373 PF18038 PF03623 PF07714	7.8	IC50	ChEMBL
Q05397	PTK2	Homo sapiens	Human	PF21477 PF00373 PF18038 PF03623 PF07714	7.8	IC50	ChEMBL
Q07912	TNK2	Homo sapiens	Human	PF09027 PF11555 PF07714 PF22931 PF14604	7.8	IC50	ChEMBL
Q16620	NTRK2	Homo sapiens	Human	PF07679 PF13855 PF16920 PF01462 PF07714	7.6	IC50	ChEMBL
P04629	NTRK1	Homo sapiens	Human	PF13855 PF16920 PF07714 PF18613	7.6	IC50	ChEMBL
Q16288	NTRK3	Homo sapiens	Human	PF07679 PF00047 PF13855 PF16920 PF01462 PF07714	7.3	IC50	ChEMBL
P42685	FRK	Homo sapiens	Human	PF07714 PF00017 PF00018	7.3	IC50	ChEMBL
P00533	EGFR	Homo sapiens	Human	PF00757 PF14843 PF07714 PF01030 PF21314	6.9	IC50	ChEMBL
O60674	JAK2	Homo sapiens	Human	PF18379 PF18377 PF17887 PF07714 PF21990	6.3	IC50	ChEMBL