norendoxifen

Ligand id: 10204

Name: norendoxifen

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 55.48
Molecular weight 359.19
XLogP 6.1
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug tamoxifen
IUPAC Name
4-[(~{Z})-1-[4-(2-aminoethoxy)phenyl]-2-phenylbut-1-enyl]phenol
Synonyms
Z-norendoxifen
Comments
Norendoxifen is an active metabolite of tamoxifen. In addition to acting as an estrogen receptor modulator, norendoxifen also inhibits aromatase enzyme activity (i.e. inhibits estrogen biosynthesis) [1-2]. We show the Z isomer here as it is more potent in terms of ER modulation and in vivo activity compared to the E isomer.
Database Links
BindingDB Ligand 50435004
ChEMBL Ligand CHEMBL2386284
GtoPdb PubChem SID 381118914
PubChem CID 68037237
Search Google for chemical match using the InChIKey YCQBLTPGQSYLHD-VHXPQNKSSA-N
Search Google for chemicals with the same backbone YCQBLTPGQSYLHD
Search UniChem for chemical match using the InChIKey YCQBLTPGQSYLHD-VHXPQNKSSA-N
Search UniChem for chemicals with the same backbone YCQBLTPGQSYLHD