bexarotene

Ligand Id: 2807
Ligand name bexarotene

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 348.21
XLogP 10.78
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1999))
DrugBank groups approved; investigational
IUPAC Name
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
International Nonproprietary Names
INN number INN
7782 bexarotene
Synonyms
LGD1069
Database Links
BindingDB Ligand 50032675
CAS Registry No. 153559-49-0 (source: Scifinder)
ChEBI CHEBI:50859
ChEMBL Ligand CHEMBL1023
DrugBank Ligand DB00307
NURSA Ligand 867
PubChem CID 82146
RCSB PDB Ligand 9RA
Search Google for chemical match using the InChIKey NAVMQTYZDKMPEU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NAVMQTYZDKMPEU
Search PubMed clinical trials bexarotene
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Wikipedia Bexarotene
ZINC ZINC01539579
Comments
Bexarotene shows activity in all clinical stages of cutaneous T cell lymphoma and has been used for non-indicated cancers such as lung and breast cancer, and Kaposi’s sarcoma.