Compound Detail

CHEMBL2392152

Enter ChEMBL ID:

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

O=C(Nc1cccc2c(=O)cc(C(=O)O)oc12)c1ccc2ccccc2n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2392152
Phase	Preclinical
Structure Type	MOL
InChI Key	CKKVVXBKJMOMEW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

360.3

MW (Da)

3.29

ALogP

HBA

HBD

109.5

PSA (Å²)

0.58

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 5.87

Ki 1 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
G-protein coupled receptor 35 CHEMBL1293267	Ki	6.16	6.16	691.0	1
G-protein coupled receptor 35 CHEMBL1293267	EC50	5.87	5.87	1340.0	2
G-protein coupled receptor 35 CHEMBL2390813	EC50	5.45	5.45	3590.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
G-protein coupled receptor 35	Ki	=	691.0	nM	6.16	Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells...	23888932
G-protein coupled receptor 35	EC50	=	1340.0	nM	5.87	Agonist activity at human GPR35 expressed in CHO cells assessed as induction of ...	23713606
G-protein coupled receptor 35	EC50	=	1340.0	nM	5.87	Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35...	23888932
G-protein coupled receptor 35	EC50	=	3590.0	nM	5.45	Agonist activity at mouse GPR35 expressed in CHO cells assessed as induction of ...	23713606

PubMed	DOI	Target Context	# Activities
23713606	10.1021/jm400587g	G-protein coupled receptor 35	4
23713606	10.1021/jm400587g	G-protein coupled receptor 55	2
23888932	10.1021/jm4009373	G-protein coupled receptor 35	2
23713606	10.1021/jm400587g	G protein-coupled receptor GPR35	1

Data from ChEMBL 36 via Core Engine