Compound Detail

CHEMBL2348511

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COc1cc(Br)c(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2348511
Phase	Preclinical
Structure Type	MOL
InChI Key	SEYZORXZDBCUHS-HNNXBMFYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

489.3

MW (Da)

5.18

ALogP

HBA

HBD

43.0

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Urotensin-2 receptor CHEMBL3764	IC50	6.72	6.69	191.0	2
Urotensin-2 receptor CHEMBL4921	IC50	5.41	5.41	3900.0	1
Urotensin-2 receptor CHEMBL2346494	IC50	5.19	5.19	6400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urotensin-2 receptor	IC50	=	191.0	nM	6.72	Antagonist activity at recombinant human urotensin2 receptor expressed in CHO ce...	23453841
Urotensin-2 receptor	IC50	=	217.0	nM	6.66	Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed i...	23453841
Urotensin-2 receptor	IC50	=	3900.0	nM	5.41	Antagonist activity at rat urotensin2 receptor assessed as inhibition of urotens...	23453841
Urotensin-2 receptor	IC50	=	6400.0	nM	5.19	Antagonist activity at mouse urotensin2 receptor assessed as inhibition of urote...	23453841

PubMed	DOI	Target Context	# Activities
23453841	10.1016/j.bmcl.2013.01.105	Urotensin-2 receptor	4
23453841	10.1016/j.bmcl.2013.01.105	Liver microsomes	2
23453841	10.1016/j.bmcl.2013.01.105	Caco-2	2
23453841	10.1016/j.bmcl.2013.01.105	No relevant target	2

Data from ChEMBL 36 via Core Engine