Compound Detail

CHEMBL320408

Enter ChEMBL ID:

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

CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)CC21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL320408
Phase	Preclinical
Structure Type	MOL
InChI Key	YCHYFHOSGQABSW-MUMRKEEXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

400.6

MW (Da)

6.32

ALogP

HBA

HBD

66.8

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

Ki 3 meas. best 7.49

EC50 2 meas. best 6.93

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL3571	Ki	7.49	6.905	32.3	2
Cannabinoid receptor 2 CHEMBL253	EC50	6.93	6.93	116.2	1
Cannabinoid receptor 2 CHEMBL253	Ki	6.77	6.77	170.5	1
Cannabinoid receptor 1 CHEMBL3571	EC50	6.03	6.03	927.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	32.3	nM	7.49	Binding to Cannabinoid receptor 1 using African green monkey (COS-7) cells trans...	9379442
Cannabinoid receptor 2	EC50	=	116.2	nM	6.93	Effective concentration for inhibition of human Cannabinoid receptor 2-mediated ...	9379442
Cannabinoid receptor 2	Ki	=	170.5	nM	6.77	Binding affinity to Cannabinoid receptor 2 using African green monkey (COS-7) ce...	9379442
Cannabinoid receptor 1	Ki	=	480.6	nM	6.32	Binding affinity for Cannabinoid receptor 1 using African green monkey (COS-7) c...	9379442
Cannabinoid receptor 1	EC50	=	927.0	nM	6.03	Effective concentration for inhibition of Cannabinoid receptor 1-mediated adenyl...	9379442

PubMed	DOI	Target Context	# Activities
1507202	10.1021/jm00095a007	Mus musculus	24
9379442	10.1021/jm970126f	Cannabinoid receptor 1	3
9379442	10.1021/jm970126f	Cannabinoid receptor 2	2

Data from ChEMBL 36 via Core Engine