ajulemic acid

Ligand id: 9772

Name: ajulemic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 66.76
Molecular weight 400.26
XLogP 7.01
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6aR,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid
Synonyms
CPL-7075 | CPL7075 | CT-3 | IP-751 | IP751 | lenabasum (proposed INN)
Comments
Ajulemic acid is a synthetic derivative of the non-psychoactive cannabinoid THC metabolite 11-nor-9-Carboxy-THC (PubChem CID 108207) [8]. It is a non-selective cannabinoid receptor agonist [4,6]. Ajulemic acid exhibits potentially useful analgesic and anti-inflammatory actions [3].
Database Links
BindingDB Ligand 50005920
CAS Registry No. 137945-48-3 (source: WHO INN record)
ChEMBL Ligand CHEMBL456341
GtoPdb PubChem SID 354702245
PubChem CID 3083542
RCSB PDB Ligand AJA
Search Google for chemical match using the InChIKey YCHYFHOSGQABSW-RTBURBONSA-N
Search Google for chemicals with the same backbone YCHYFHOSGQABSW
Search UniChem for chemical match using the InChIKey YCHYFHOSGQABSW-RTBURBONSA-N
Search UniChem for chemicals with the same backbone YCHYFHOSGQABSW