Compound Detail

CHEMBL94239

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Cc1c(C(=O)NN)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL94239
Phase	Preclinical
Structure Type	MOL
InChI Key	JTJORYHEPQPVJK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

395.7

MW (Da)

4.41

ALogP

HBA

HBD

72.9

PSA (Å²)

0.39

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 5 meas. best 6.43

EC50 1 meas.

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL218	Ki	6.43	6.43	374.1	2
Cannabinoid receptor 1 CHEMBL3571	Ki	6.43	6.325	374.0	2
Cannabinoid receptor 2 CHEMBL253	Ki	4.92	4.92	12100.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	374.0	nM	6.43	Binding affinity in a competition assay by displacement of [3H]CP-55940 from Can...	12061874
Cannabinoid receptor 1	Ki	=	374.1	nM	6.43	Antagonist activity at CB1 receptor (unknown origin)	-
Cannabinoid receptor 1	Ki	=	374.11	nM	6.43	Antagonist activity at CB1 receptor (unknown origin)	-
Cannabinoid receptor 1	Ki	=	602.0	nM	6.22	Binding affinity in a competition assay by displacement of [3H]- SR-141716 from ...	12061874
Cannabinoid receptor 2	Ki	=	12100.0	nM	4.92	Binding affinity at cannabinoid receptor 2 in a competition assay with [3H]CP-55...	12061874

PubMed	DOI	Target Context	# Activities
12061874	10.1021/jm010498v	Cannabinoid receptor 1	2
12061874	10.1021/jm010498v	Rattus norvegicus	2
-	10.1007/s00044-012-0418-y	Cannabinoid receptor 1	2
12061874	10.1021/jm010498v	Cannabinoid receptor 2	1
12061874	10.1021/jm010498v	Unchecked	1

Data from ChEMBL 36 via Core Engine