cenerimod

Ligand id: 9824

Name: cenerimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 110.73
Molecular weight 453.23
XLogP 4.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-3-[4-[5-(2-cyclopentyl-6-methoxypyridin-4-yl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]propane-1,2-diol
Synonyms
ACT-334441
Comments
Cenerimod is a potent and selective S1P1 receptor modulator with unique S1P1 receptor signaling properties and absence of broncho- and vasoconstrictor effects ex vivo and in vivo. It dose-dependently lowered circulating lymphocyte counts in rats and mice after oral administration and effectively attenuated disease parameters in a mouse experimental autoimmune encephalitis (EAE) model [2]. There is an Actelion patent where cenerimod is example 2 along with 30 EC50 values [1].
Database Links
GtoPdb PubChem SID 354702295
PubChem CID 49871973
Search Google for chemical match using the InChIKey KJKKMMMRWISKRF-FQEVSTJZSA-N
Search Google for chemicals with the same backbone KJKKMMMRWISKRF
Search UniChem for chemical match using the InChIKey KJKKMMMRWISKRF-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone KJKKMMMRWISKRF