Compound Detail

CHEMBL483143

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CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL483143
Phase	Preclinical
Structure Type	MOL
InChI Key	LIBNBUULGCFJNR-ZWKOTPCHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

311.5

MW (Da)

4.72

ALogP

HBA

HBD

49.3

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 2 meas. best 6.09

EC50 1 meas. best 6.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transient receptor potential cation channel subfamily V member 1 CHEMBL4794	EC50	6.75	6.75	180.0	1
Cannabinoid receptor 1 CHEMBL218	Ki	6.09	6.09	820.0	1
Cannabinoid receptor 2 CHEMBL253	Ki	5.79	5.79	1630.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transient receptor potential cation channel subfamily V member 1	EC50	=	180.0	nM	6.75	Agonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed a...	19361197
Cannabinoid receptor 1	Ki	=	820.0	nM	6.09	Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HE...	19361197
Cannabinoid receptor 2	Ki	=	1630.0	nM	5.79	Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HE...	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