7-[4-[4-[[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]phenyl]triazol-1-yl]-N-hydroxyheptanamide

InChIKey	`YHRLBNOQGFVSSK-GGXWVIOLSA-N`
Compound Name	7-[4-[4-[[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]phenyl]triazol-1-yl]-N-hydroxyheptanamide
Canonical SMILES	`CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	6
Pfam Stratification	Cross-Family
Avg pChEMBL	7.37
Source	BindingDB;ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q02161	RHD	Homo sapiens	Human	PF00909	7.9	pIC50	TTD_MultiTarget
Q13547	HDAC1	Homo sapiens	Human	PF00850	7.9	pIC50	TTD_MultiTarget
Q92769	HDAC2	Homo sapiens	Human	PF00850	7.9	IC50	ChEMBL
Q9UBN7	HDAC6	Homo sapiens	Human	PF00850 PF02148	7.1	IC50	ChEMBL
Q9BY41	HDAC8	Homo sapiens	Human	PF00850	6.0	IC50	ChEMBL;BindingDB
Q7K6A1		Plasmodium falciparum (isolate 3D7)	Pathogen	PF00850	7.5	IC50	BindingDB