lenabasum

Ligand id: 9772

Name: lenabasum

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 6.96
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
International Nonproprietary Names
INN number INN
10785 lenabasum
Synonyms
ajulemic acid | CPL-7075 | CPL7075 | CT-3 | IP-751 | IP751
Comments
Lenabasum (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]. Lenabasum 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
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