4-hydroxy​tamoxifen

Ligand Id: 2817
Ligand name 4-hydroxy​tamoxifen
Abbreviated name 4HT

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 32.7
Molecular weight 387.22
XLogP 8.74
No. Lipinski's rules broken 1

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-[(Z)-1-[4-(2-dimethylaminoethyloxy)phenyl]-1-phenylbut-1-en-2-yl] phenol
Synonyms
4-OHT
afimoxifene
Database Links
BindingDB Ligand 50128395
CAS Registry No. 68047-06-3 (source: Scifinder)
ChEMBL Ligand CHEMBL10041
PubChem CID 5284643
RCSB PDB Ligand OHT&sid=3ERT
Search Google for chemical match using the InChIKey DODQJNMQWMSYGS-QPLCGJKRSA-N
Search Google for chemicals with the same backbone DODQJNMQWMSYGS
Comments
A metabolite of the approved drug tamoxifen.