toremifene

Ligand id: 4325

Name: toremifene

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 12.47
Molecular weight 405.19
XLogP 10.47
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (EMA (1996), FDA (1997))
IUPAC Name
2-[4-[(Z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-N,N-dimethylethanamine
International Nonproprietary Names
INN number INN
5698 toremifene
Synonyms
Farestone® | FC-1157a
Database Links
CAS Registry No. 89778-26-7 (source: Scifinder)
ChEBI CHEBI:9635
ChEMBL Ligand CHEMBL1655
DrugBank Ligand DB00539
PubChem CID 3005573
RCSB PDB Ligand T0R
Search Google for chemical match using the InChIKey XFCLJVABOIYOMF-QPLCGJKRSA-N
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Search UniChem for chemical match using the InChIKey XFCLJVABOIYOMF-QPLCGJKRSA-N
Search UniChem for chemicals with the same backbone XFCLJVABOIYOMF
Wikipedia Toremifene
Comments
Toremifene is an orally active, selective estrogen receptor modulator (SERM).