Compound Detail

CHEMBL2392171

Enter ChEMBL ID:

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

O=C(O)c1cc(=O)c2cc(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2392171
Phase	Preclinical
Structure Type	MOL
InChI Key	SARVDTIHXSLJDV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

457.1

MW (Da)

4.81

ALogP

HBA

HBD

96.6

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.79

Ki 1 meas. best 9.03

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
G-protein coupled receptor 35 CHEMBL1293267	Ki	9.03	9.03	0.9	1
G-protein coupled receptor 35 CHEMBL1293267	EC50	7.79	7.7075	16.2	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
G-protein coupled receptor 35	Ki	=	0.938	nM	9.03	Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells...	23888932
G-protein coupled receptor 35	EC50	=	16.22	nM	7.79	Agonist activity at human GPR35 expressed in CHO cells assessed as induction of ...	23713606
G-protein coupled receptor 35	EC50	=	16.4	nM	7.79	Agonist activity at human GPR35 expressed in CHO cells assessed as induction of ...	23713606
G-protein coupled receptor 35	EC50	=	16.4	nM	7.79	Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35...	23888932
G-protein coupled receptor 35	EC50	=	34.6	nM	7.46	Agonist activity at human GPR35b expressed in CHO cells assessed as induction of...	23713606

PubMed	DOI	Target Context	# Activities
23713606	10.1021/jm400587g	G-protein coupled receptor 35	6
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