7-Chloro-8-(3-hydroxypropyl)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile

InChIKey	`GHPFSYCYZJKVDZ-UHFFFAOYSA-N`
Compound Name	7-Chloro-8-(3-hydroxypropyl)-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile
Canonical SMILES	`N#Cc1ncc2nc1OCCCCCOc1cc(CCCO)c(Cl)cc1NC(=O)N2`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	18
Pfam Stratification	Cross-Family
Avg pChEMBL	6.78
Source	ChEMBL;BindingDB;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O14757	CHEK1	Homo sapiens	Human	PF00069	8.3	IC50	ChEMBL;BindingDB
P51812	RPS6KA3	Homo sapiens	Human	PF00069 PF00433	8.1	Ki	ChEMBL
P07333	CSF1R	Homo sapiens	Human	PF00047 PF25305 PF07714	7.7	Ki	ChEMBL
Q13188	STK3	Homo sapiens	Human	PF11629 PF00069	7.2	Ki	ChEMBL
P49841	GSK3B	Homo sapiens	Human	PF00069	6.8	Ki	ChEMBL
P23443	RPS6KB1	Homo sapiens	Human	PF00069 PF00433	6.7	Ki	ChEMBL
Q13131	PRKAA1	Homo sapiens	Human	PF16579 PF21147 PF00069	6.6	Ki	ChEMBL
Q14680	MELK	Homo sapiens	Human	PF02149 PF00069 PF21594	6.6	Ki	ChEMBL
P11309	PIM1	Homo sapiens	Human	PF00069	6.6	Ki	ChEMBL
Q9Y4K4	MAP4K5	Homo sapiens	Human	PF00780 PF00069	6.5	Ki	ChEMBL
O14920	IKBKB	Homo sapiens	Human	PF18397 PF12179 PF00069	6.4	Ki	ChEMBL
O95819	MAP4K4	Homo sapiens	Human	PF00780 PF00069	6.3	Ki	ChEMBL
Q8TDC3	BRSK1	Homo sapiens	Human	PF21122 PF00069 PF21115	6.3	Ki	ChEMBL
Q9H4B4	PLK3	Homo sapiens	Human	PF00069 PF00659	6.2	Ki	ChEMBL
O15530	PDPK1	Homo sapiens	Human	PF14593 PF00069	6.1	Ki	ChEMBL
P53350	PLK1	Homo sapiens	Human	PF00069 PF00659	6.0	Ki	ChEMBL
P24941	CDK2	Homo sapiens	Human	PF00069	Clinical	TTD_MultiTarget	TTD_MultiTarget
P31749	AKT1	Homo sapiens	Human	PF00169 PF00069 PF00433	Clinical	TTD_MultiTarget	TTD_MultiTarget