tamoxifen

Ligand Id: 1016
Ligand name tamoxifen

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 8
Topological polar surface area 12.47
Molecular weight 371.22
XLogP 10.76
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1977))
DrugBank groups approved
IUPAC Name
2-[4-[(Z)-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
International Nonproprietary Names
INN number INN
3299 tamoxifen
Database Links
BindingDB Ligand 20607
CAS Registry No. 10540-29-1 (source: Scifinder)
ChEBI CHEBI:41774
ChEMBL Ligand CHEMBL83
DrugBank Ligand DB00675
NURSA Ligand 789
PharmGKB Drug PA451581
PubChem CID 2733526
RCSB PDB Ligand CTX
Search Google for chemical match using the InChIKey NKANXQFJJICGDU-QPLCGJKRSA-N
Search Google for chemicals with the same backbone NKANXQFJJICGDU
Search PubMed clinical trials tamoxifen
Search PubMed titles tamoxifen
Search PubMed titles/abstracts tamoxifen
Wikipedia Tamoxifen
ZINC ZINC01530689
Comments
Tamoxifen can be classed as a mixed agonist/antagonist at the estrogen -α and -β receptors, as its activity is depends on the tissue in which the receptor is found. ChEMBL classify this compound as an estrogen receptor alpha modulator.