Compound Detail

CHEMBL256110

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Cc1ccc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1S(=O)(=O)N1CCOCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL256110
Phase	Preclinical
Structure Type	MOL
InChI Key	ZHZOQUQDUAAVIE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

418.6

MW (Da)

2.57

ALogP

HBA

HBD

75.7

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 7.92

Ki 2 meas. best 8.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 2 CHEMBL253	Ki	8.25	8.25	5.6	1
Cannabinoid receptor 2 CHEMBL253	EC50	7.92	7.92	12.0	1
Cannabinoid receptor 1 CHEMBL218	Ki	7.48	7.48	33.0	1
Cannabinoid receptor 1 CHEMBL218	EC50	6.57	6.57	270.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 2	Ki	=	5.6	nM	8.25	Displacement of [3H]CP-55940 from human cloned CB2 receptor	18430570
Cannabinoid receptor 2	EC50	=	12.0	nM	7.92	Agonist activity at human cloned CB2 receptor by [35S]GTP-gamma-S binding assay	18430570
Cannabinoid receptor 1	Ki	=	33.0	nM	7.48	Displacement of [3H]CP-55940 from human cloned CB1 receptor	18430570
Cannabinoid receptor 1	EC50	=	270.0	nM	6.57	Agonist activity at human cloned CB1 receptor by [35S]GTPgammaS binding assay	18430570

PubMed	DOI	Target Context	# Activities
18430570	10.1016/j.bmcl.2008.04.006	Cannabinoid receptor 1	2
18430570	10.1016/j.bmcl.2008.04.006	Cannabinoid receptor 2	2
18430570	10.1016/j.bmcl.2008.04.006	Unchecked	2

Data from ChEMBL 36 via Core Engine