(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone

InChIKey	`UCPPLLAVVTUHRE-JPLZCZSMSA-N`
Compound Name	(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[[2-(3,5-dimethoxyphenyl)-1H-indol-3-yl]methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Canonical SMILES	`CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2c(-c3cc(OC)cc(OC)c3)[nH]c3ccccc23)NC1=O`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	14
Pfam Stratification	Cross-Family
Avg pChEMBL	9.7
Source	BindingDB;ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
O15379	HDAC3	Homo sapiens	Human	PF00850	9.7	IC50	ChEMBL
P56524	HDAC4	Homo sapiens	Human	PF12203 PF00850	9.7	pIC50	TTD_MultiTarget
Q02161	RHD	Homo sapiens	Human	PF00909	9.7	pIC50	TTD_MultiTarget
Q13547	HDAC1	Homo sapiens	Human	PF00850	9.7	pIC50	TTD_MultiTarget
Q8WUI4	HDAC7	Homo sapiens	Human	PF00850	9.7	IC50	ChEMBL
Q92769	HDAC2	Homo sapiens	Human	PF00850	9.7	pIC50	TTD_MultiTarget
Q969S8	HDAC10	Homo sapiens	Human	PF00850	9.7	IC50	ChEMBL
Q96DB2	HDAC11	Homo sapiens	Human	PF00850	9.7	IC50	ChEMBL
Q9BY41	HDAC8	Homo sapiens	Human	PF00850	9.7	IC50	ChEMBL
Q9UBN7	HDAC6	Homo sapiens	Human	PF00850 PF02148	9.7	IC50	ChEMBL
Q9UKV0	HDAC9	Homo sapiens	Human	PF12203 PF00850	9.7	IC50	ChEMBL
Q9UQL6	HDAC5	Homo sapiens	Human	PF12203 PF00850	9.7	IC50	ChEMBL
A0A7G2HKG3		Cryptosporidium parvum	Pathogen	PF00850	9.7	IC50	BindingDB
Q9GUA8	HD1	Cryptosporidium parvum	Pathogen	PF00850	9.7	IC50	ChEMBL