7-[4-[4-[[[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylamino]methyl]phenyl]triazol-1-yl]-N-hydroxyheptanamide

InChIKey	`DRLFGGSHPHJCRP-NUOIGXOXSA-N`
Compound Name	7-[4-[4-[[[(2S,3R,4S,6R)-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-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)(OC)C[C@@H](C)C(=O)[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	8.05
Source	ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q02161	RHD	Homo sapiens	Human	PF00909	8.4	pIC50	TTD_MultiTarget
Q13547	HDAC1	Homo sapiens	Human	PF00850	8.4	pIC50	TTD_MultiTarget
Q92769	HDAC2	Homo sapiens	Human	PF00850	8.4	IC50	ChEMBL
Q9UBN7	HDAC6	Homo sapiens	Human	PF00850 PF02148	7.0	IC50	ChEMBL