alitretinoin

Ligand Id: 2645
Ligand name alitretinoin

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 37.3
Molecular weight 300.21
XLogP 6.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1999))
IUPAC Name
(2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid
International Nonproprietary Names
INN number INN
7781 alitretinoin
Synonyms
9-cis-retinoic acid
Panretin®
Database Links
BindingDB Ligand 31892
CAS Registry No. 5300-03-8 (source: Scifinder)
ChEBI CHEBI:50648
ChEMBL Ligand CHEMBL705
DrugBank Ligand DB00523
NURSA Ligand li42
PharmGKB Drug PA164746900
PubChem CID 449171
RCSB PDB Ligand REA
Search Google for chemical match using the InChIKey SHGAZHPCJJPHSC-ZVCIMWCZSA-N
Search Google for chemicals with the same backbone SHGAZHPCJJPHSC
Search PubMed clinical trials alitretinoin
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Wikipedia Alitretinoin
Comments
Alitretinoin ia an important regulator of gene expression during normal growth and development, as well as in neoplasms. Alitretinoin is a retinoid receptor agonist.