7-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}methyl)phenyl]-1H-1,2,3-triazol-1-yl}-N-hydroxyheptanamide

InChIKey	`SFIVOPLARTVWJB-JOHRSMMHSA-N`
Compound Name	7-{4-[4-({[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10,13-tetrahydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}methyl)phenyl]-1H-1,2,3-triazol-1-yl}-N-hydroxyheptanamide
Canonical SMILES	`CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[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)	4
Pfam Stratification	Cross-Family
Avg pChEMBL	7.71
Source	ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q02161	RHD	Homo sapiens	Human	PF00909	8.0	pIC50	TTD_MultiTarget
Q13547	HDAC1	Homo sapiens	Human	PF00850	8.0	pIC50	TTD_MultiTarget
Q92769	HDAC2	Homo sapiens	Human	PF00850	8.0	IC50	ChEMBL
Q9UBN7	HDAC6	Homo sapiens	Human	PF00850 PF02148	6.9	IC50	ChEMBL