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CHEBI:234516 - Ozanimod

Default Structure
ChEBI IDCHEBI:234516
ChEBI NameOzanimod
Stars
DefinitionA sphingosine 1-phosphate receptor modulator being studied to treat Multiple Sclerosis (MS) and inflammatory bowel disease (IBD).
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC23H24N4O3
Net Charge0
Average Mass404.470
Monoisotopic Mass404.18484
SMILESCC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N
InChIInChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1
InChIKeyXRVDGNKRPOAQTN-FQEVSTJZSA-N
ChEBI Ontology
Outgoing Relation(s)
Ozanimod (CHEBI:234516) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
5-{3-[(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl]-1,2,4-oxadiazol-5-yl}-2-(propan-2-yloxy)benzonitrile
Synonym  Source
OzanimodumSUBMITTER
Brand Name  Source
ZeposiaSUBMITTER
Manual XrefsDatabases
D10968KEGG DRUG
DB12612DrugBank
Registry NumbersSources
CAS:1306760-87-1SUBMITTER