AC55649

Ligand id: 4055

Name: AC55649

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 37.3
Molecular weight 310.19
XLogP 10.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4-octylphenyl)benzoic acid
Synonyms
AC 55649
AC-55649
Database Links
CAS Registry No. 59662-49-6 (source: Scifinder)
ChEMBL Ligand CHEMBL425027
PubChem CID 1714884
Search Google for chemical match using the InChIKey HXBKPYIEQLLNBK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HXBKPYIEQLLNBK
Comments
AC55649 is a retinoic acid receptor (RAR) agonist with 100-fold selectivity for the RARβ2 isoform (pEC50 6.9, compared to 5.7 for RARβ1 and 5.6 for RARα) [1].