5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)-3-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)piperidin-4-yl)oxy)benzonitrile

InChIKey	`QYECLBIGLCTRAG-IDUMMXBFSA-N`
Compound Name	5-(4-((4-((S)-2,4-dimethylpiperazin-1-yl)-3-methoxyphenyl)amino)-1,3,5-triazin-2-yl)-2-(((3R,4S)-3-fluoro-1-((S)-2-hydroxypropanoyl)piperidin-4-yl)oxy)benzonitrile
Canonical SMILES	`COc1cc(Nc2ncnc(-c3ccc(O[C@H]4CCN(C(=O)[C@H](C)O)C[C@H]4F)c(C#N)c3)n2)ccc1N1CCN(C)C[C@@H]1C`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.77
Source	BindingDB;ChEMBL

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q9UHD2	TBK1	Homo sapiens	Human	PF00069 PF18394 PF18396	8.7	IC50	BindingDB
Q14164	IKBKE	Homo sapiens	Human	PF00069 PF18394 PF18396	7.5	IC50	BindingDB
O60674	JAK2	Homo sapiens	Human	PF18379 PF18377 PF17887 PF07714 PF21990	7.1	IC50	ChEMBL;BindingDB