1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2S,2''S)-(((2-methyl-1,3-phenylene)bis(oxy))bis (methylene))bis(morpholine-2,4-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(acetyl))bis(6-(4-fluorobenzyl)-3,3-dimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one)

InChIKey	`DEZDBOCYFFLXDD-ROWAATGXSA-N`
Compound Name	1,1''-(2,2''-((3R,3''R,6R,6''R)-(((2S,2''S)-(((2-methyl-1,3-phenylene)bis(oxy))bis (methylene))bis(morpholine-2,4-diyl))bis(methylene)) bis(3-methylpiperazine-6,1-diyl))bis(acetyl))bis(6-(4-fluorobenzyl)-3,3-dimethyl-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-b]pyridin-5-one)
Canonical SMILES	`Cc1c(OC[C@@H]2CN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)CCO2)cccc1OC[C@@H]1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCO1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	8.11
Source	BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q13489	BIRC3	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	8.3	IC50	BindingDB
Q13490	BIRC2	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	8.3	IC50	BindingDB
P98170	XIAP	Homo sapiens	Human	PF00653 PF21290 PF13920	7.8	IC50	BindingDB