Compound Detail

CHEMBL2348502

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2348502
Phase	Preclinical
Structure Type	MOL
InChI Key	SDTZEZIBBCCXPG-CQSZACIVSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

504.8

MW (Da)

4.18

ALogP

HBA

HBD

65.1

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 7.47

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Urotensin-2 receptor CHEMBL3764	IC50	7.47	7.345	34.0	2
Urotensin-2 receptor CHEMBL4921	IC50	5.7	5.7	2000.0	1
Urotensin-2 receptor CHEMBL2346494	IC50	5.33	5.33	4700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Urotensin-2 receptor	IC50	=	34.0	nM	7.47	Displacement of [125I]-U2 from human recombinant urotensin2 receptor expressed i...	23453841
Urotensin-2 receptor	IC50	=	60.0	nM	7.22	Antagonist activity at recombinant human urotensin2 receptor expressed in CHO ce...	23453841
Urotensin-2 receptor	IC50	=	2000.0	nM	5.7	Antagonist activity at rat urotensin2 receptor assessed as inhibition of urotens...	23453841
Urotensin-2 receptor	IC50	=	4700.0	nM	5.33	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	Caco-2	2
23453841	10.1016/j.bmcl.2013.01.105	No relevant target	2
23453841	10.1016/j.bmcl.2013.01.105	Liver microsomes	2

Data from ChEMBL 36 via Core Engine