(3S,6S,1''aS)-6-((S)-2-(Methylamino)propanamido)-N-((1-(2-(2-(2-(2-(4-((S)-((3S,6S,1''aS)-6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamido)(phenyl)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)(phenyl)methyl)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide

InChIKey	`BJTRDZRWFOFYFN-QHNAYFJPSA-N`
Compound Name	(3S,6S,1''aS)-6-((S)-2-(Methylamino)propanamido)-N-((1-(2-(2-(2-(2-(4-((S)-((3S,6S,1''aS)-6-((S)-2-(methylamino)propanamido)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamido)(phenyl)methyl)-1H-1,2,3-triazol-1-yl)ethoxy)ethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)(phenyl)methyl)-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide
Canonical SMILES	`CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H](c3ccccc3)c3cn(CCOCCOCCOCCn4cc([C@@H](NC(=O)[C@@H]5CC[C@@H]6CCCC[C@H](NC(=O)[C@H](C)NC)C(=O)N65)c5ccccc5)nn4)nn3)N2C1=O`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Homologous
Avg pChEMBL	7.79
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q13490	BIRC2	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	8.2	IC50	ChEMBL;BindingDB
Q13489	BIRC3	Homo sapiens	Human	PF00653 PF00619 PF21290 PF13920	7.9	IC50	ChEMBL;BindingDB
P98170	XIAP	Homo sapiens	Human	PF00653 PF21290 PF13920	7.3	IC50	ChEMBL;BindingDB