Compound Detail

CHEMBL485368

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CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H]1C[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL485368
Phase	Preclinical
Structure Type	MOL
InChI Key	LZHCSJBKBARIFQ-MTVZMXCXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

359.6

MW (Da)

5.38

ALogP

HBA

HBD

49.3

PSA (Å²)

0.30

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 7.7

EC50 1 meas. best 5.62

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cannabinoid receptor 1 CHEMBL218	Ki	7.7	7.7	20.0	1
Cannabinoid receptor 2 CHEMBL253	Ki	6.72	6.72	190.0	1
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	EC50	5.62	5.62	2400.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cannabinoid receptor 1	Ki	=	20.0	nM	7.7	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE...	19361197
Cannabinoid receptor 2	Ki	=	190.0	nM	6.72	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE...	19361197
Transient receptor potential cation channel subfamily V member 1	EC50	=	2400.0	nM	5.62	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed a...	19361197

PubMed	DOI	Target Context	# Activities
19361197	10.1021/jm900130m	Transient receptor potential cation channel subfamily V member 1	2
19361197	10.1021/jm900130m	Cannabinoid receptor 1	1
19361197	10.1021/jm900130m	Cannabinoid receptor 2	1

Data from ChEMBL 36 via Core Engine