Compound Detail

CHEMBL4211106

Enter ChEMBL ID:

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

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4211106
Phase	Preclinical
Structure Type	MOL
InChI Key	SKCZBQSPGJHKOX-IYXKCDGNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.6

MW (Da)

5.88

ALogP

HBA

HBD

49.3

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 3 meas. best 7.67

EC50 1 meas. best 7.23

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL3571	Ki	7.67	7.6	21.4	2
Cannabinoid receptor 1 CHEMBL3571	EC50	7.23	7.23	58.3	1
Cannabinoid receptor 2 CHEMBL253	Ki	6.92	6.92	120.0	1

Parameter	Value	Units	Species
t1/2	-	-	Rattus norvegicus
t1/2	-	-	Homo sapiens

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	21.4	nM	7.67	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in presen...	30196704
Cannabinoid receptor 1	Ki	=	29.3	nM	7.53	Displacement of [3H]CP-55,940 from CB1 receptor in rat brain membranes in absenc...	30196704
Cannabinoid receptor 1	EC50	=	58.3	nM	7.23	Agonist activity at rat CB1 receptor expressed in HEK293 cells assessed as inhib...	30196704
Cannabinoid receptor 2	Ki	=	120.0	nM	6.92	Displacement of [3H]CP-55,940 from human CB2 receptor expressed in HEK293 cell m...	30196704

PubMed	DOI	Target Context	# Activities
30196704	10.1021/acs.jmedchem.8b00611	Cannabinoid receptor 1	4
30196704	10.1021/acs.jmedchem.8b00611	Cannabinoid receptor 2	2
30196704	10.1021/acs.jmedchem.8b00611	Fatty-acid amide hydrolase 1	2
30196704	10.1021/acs.jmedchem.8b00611	Prostaglandin G/H synthase 2	1

Data from ChEMBL 36 via Core Engine