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
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.
Database Links
GtoPdb PubChem SID 329968436
PubChem CID 46872626
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Search UniChem for chemical match using the InChIKey WAAWETUDFSIYSD-UHFFFAOYSA-N
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Product suppliers

Tocris
A 971432
Cat. No. 5766