compound 28 [Heitel et al., 2019]

Ligand id: 10186

Name: compound 28 [Heitel et al., 2019]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 26.3
Molecular weight 302.13
XLogP 5.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[4-({[1,1'-biphenyl]-2-yloxy}methyl)phenyl]ethan-1-one
Comments
Compound 28 is a retinoid X receptor agonist (rexinoid) [1] and is representative of a novel rexinoid chemotype that is proposed as a lead for the RXR-targeting medicinal chemistry pipeline.
Database Links
GtoPdb PubChem SID 381118896
Search Google for chemical match using the InChIKey ZYZDLKZAFQVEKA-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey ZYZDLKZAFQVEKA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ZYZDLKZAFQVEKA