(2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[4-[[4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]-5-cyclopropylpyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

InChIKey	`BBLUCKCGFGRHBM-PNADFZFASA-N`
Compound Name	(2S,4R)-1-[(2S)-2-[[2-[3-[4-[3-[4-[[4-[3-[cyclobutanecarbonyl(methyl)amino]propylamino]-5-cyclopropylpyrimidin-2-yl]amino]phenoxy]propoxy]butoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Canonical SMILES	`Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCCCCOCCCOc2ccc(Nc3ncc(C4CC4)c(NCCCN(C)C(=O)C4CCC4)n3)cc2)C(C)(C)C)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	5
Pfam Stratification	Cross-Family
Avg pChEMBL	6.2
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q9UHD2	TBK1	Homo sapiens	Human	PF00069 PF18394 PF18396	6.6	Kd	ChEMBL;BindingDB
P40337	VHL	Homo sapiens	Human	PF01847 PF17211	6.1	IC50	ChEMBL
Q15369	ELOC	Homo sapiens	Human	PF03931	6.1	IC50	ChEMBL
Q15370	ELOB	Homo sapiens	Human	PF00240	6.1	IC50	ChEMBL
Q16665	HIF1A	Homo sapiens	Human	PF23171 PF11413 PF08778 PF00989 PF08447	6.1	IC50	ChEMBL;BindingDB