ozanimod

Ligand id: 8709

Name: ozanimod

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 104.2
Molecular weight 404.18
XLogP 3.7
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[3-[(1S)-1-(2-hydroxyethylamino)-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
International Nonproprietary Names
INN number INN
10057 ozanimod
Synonyms
RPC-1063 | RPC1063
Database Links
CAS Registry No. 1306760-87-1 (source: PubChem)
PubChem CID 52938427
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Search UniChem for chemical match using the InChIKey XRVDGNKRPOAQTN-FQEVSTJZSA-N
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Comments
Ozanimod (RPC1063) is a novel, orally available, specific and potent agonist of the sphingosine 1-phosphate 1 receptor (S1P1R) and SIP5Rs [3]. Ozanimod is compound 86 in patent US20110172202 A1 [2], which specifies the (S)-enantiomer.