A-971432

Ligand id: 9496

Name: A-971432

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 49.77
Molecular weight 365.06
XLogP 3.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methyl)azetidine-3-carboxylic acid
Database Links
PubChem CID 46872626
Search Google for chemical match using the InChIKey WAAWETUDFSIYSD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WAAWETUDFSIYSD
Comments
A-971432 is an orally bioavailable selective sphingosine-1-phosphate receptor 5 (S1P5R) agonist, notably with no S1P1R activity. It is compound 29 in [2] and is claimed in patent WO2010093704 [1]. A-971432 is suitable for differentiating S1P1 vs. S1P5 biology in vivo. The compound is being investigated for treatment efficacy in neurodegenerative disorders.