Compound Detail

CHEMBL148805

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C1=C(CCN2CCOCC2)c2ccccc2/C1=C\c1cccc2ccccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL148805
Phase	Preclinical
Structure Type	MOL
InChI Key	RTRAPBQOJODDGH-NKFKGCMQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

367.5

MW (Da)

5.50

ALogP

HBA

HBD

12.5

PSA (Å²)

0.60

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 6.88

EC50 1 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 2 CHEMBL253	Ki	6.88	6.88	132.0	1
Cannabinoid receptor 1 CHEMBL218	Ki	6.83	6.43	148.0	2
Cavia porcellus CHEMBL369	EC50	6.55	6.55	283.1	1
Unchecked CHEMBL612545	Ki	6.36	6.36	437.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 2	Ki	=	132.0	nM	6.88	Compound was evaluated for its binding affinity against Cannabinoid receptor 2 i...	9857088
Cannabinoid receptor 1	Ki	=	148.0	nM	6.83	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 i...	9857088
Cavia porcellus	EC50	=	283.13	nM	6.55	Compound was evaluated for inhibition of electrically evoked contractions of the...	9857088
Unchecked	Ki	=	437.0	nM	6.36	Displacement of [3H]-WIN55212-2 from HEK293 cell membrane lacking CB1R and CB2R ...	36708677
Cannabinoid receptor 1	Ki	=	928.0	nM	6.03	Compound was evaluated for its binding affinity against Cannabinoid receptor 1 i...	9857088

PubMed	DOI	Target Context	# Activities
9857088	10.1021/jm9801197	Cannabinoid receptor 1	2
36708677	10.1016/j.ejmech.2023.115123	Unchecked	2
9857088	10.1021/jm9801197	Cannabinoid receptor 2	1
9857088	10.1021/jm9801197	Cavia porcellus	1

Data from ChEMBL 36 via Core Engine