prinaberel

Ligand id: 6700

Name: prinaberel

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 66.49
Molecular weight 271.06
XLogP 2.99
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
8771 prinaberel
Synonyms
ERB 041 | ERB-041 | PF-00913086
Comments
Prinaberel is an estrogen receptor beta (ERβ) agonist, with potential gynecological uses and antiinflammatory action [1-3].

The structure shown here matches that in the INN document for prinaberel, and as in the ChEMBL entry provided above. However, alternative tautomers are represented elsewhere including CID 5326893.
Database Links
CAS Registry No. 524684-52-4 (source: SciFinder)
ChEMBL Ligand CHEMBL450940
GtoPdb PubChem SID 178103311
PubChem CID 67011843
RCSB PDB Ligand 41, 041
Search Google for chemical match using the InChIKey MQIMZDXIAHJKQP-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey MQIMZDXIAHJKQP-UHFFFAOYSA-N
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Wikipedia Prinaberel