Compound Detail

CHEMBL4210946

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CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(=O)NC1CCCC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4210946
Phase	Preclinical
Structure Type	MOL
InChI Key	AFIUMLLAIMWORC-RBSVARDCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

385.6

MW (Da)

7.44

ALogP

HBA

HBD

29.1

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL3571	Ki	7.1	7.005	79.0	2
Cannabinoid receptor 2 CHEMBL253	Ki	6.86	6.86	139.0	1
Cannabinoid receptor 2 CHEMBL5373	Ki	6.41	6.41	387.0	1

Parameter	Value	Units	Species
t1/2	-	-	Rattus norvegicus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	79.0	nM	7.1	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presen...	30196704
Cannabinoid receptor 1	Ki	=	123.0	nM	6.91	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absenc...	30196704
Cannabinoid receptor 2	Ki	=	139.0	nM	6.86	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell m...	30196704
Cannabinoid receptor 2	Ki	=	387.0	nM	6.41	Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cell m...	30196704

PubMed	DOI	Target Context	# Activities
30196704	10.1021/acs.jmedchem.8b00611	Cannabinoid receptor 1	2
30196704	10.1021/acs.jmedchem.8b00611	Cannabinoid receptor 2	2
30196704	10.1021/acs.jmedchem.8b00611	Fatty-acid amide hydrolase 1	2

Data from ChEMBL 36 via Core Engine