(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

InChIKey	`PTAMRJLIOCHJMQ-PYNGZGNASA-N`
Compound Name	(2S,4R)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Canonical SMILES	`Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCNC(=O)C[C@@H]2N=C(c3ccc(Cl)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)C(C)(C)C)cc1`
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	6
Pfam Stratification	Cross-Family
Avg pChEMBL	6.75
Source	ChEMBL;BindingDB

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
Q15059	BRD3	Homo sapiens	Human	PF17035 PF00439	6.9	Kd	ChEMBL
O60885	BRD4	Homo sapiens	Human	PF17035 PF17105 PF00439	6.9	Kd	ChEMBL;BindingDB
P40337	VHL	Homo sapiens	Human	PF01847 PF17211	6.9	Kd	ChEMBL;BindingDB
Q15370	ELOB	Homo sapiens	Human	PF00240	6.6	IC50	ChEMBL
P25440	BRD2	Homo sapiens	Human	PF17035 PF00439	6.6	Kd	ChEMBL
Q15369	ELOC	Homo sapiens	Human	PF03931	6.5	IC50	ChEMBL;BindingDB