EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63112 - fingolimod hydrochloride

Default Structure
ChEBI IDCHEBI:63112
ChEBI Namefingolimod hydrochloride
Stars
DefinitionThe hydrochloride salt of 2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol (fingolimod).
Last Modified25 May 2022
SubmitterSteve
DownloadsMolfile
FormulaC19H33NO2.HCl
Net Charge0
Average Mass343.939
Monoisotopic Mass343.22781
SMILESCCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl
InChIInChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22;/h9-12,21-22H,2-8,13-16,20H2,1H3;1H
InChIKeySWZTYAVBMYWFGS-UHFFFAOYSA-N
Roles Classification
Biological Roles:
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
sphingosine-1-phosphate receptor agonist  An agonist that binds to and activates sphingosine 1-phosphate receptors.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
immunosuppressive agent  An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.
ChEBI Ontology
Outgoing Relation(s)
fingolimod hydrochloride (CHEBI:63112) has part fingolimod(1+) (CHEBI:63113)
fingolimod hydrochloride (CHEBI:63112) has role immunosuppressive agent (CHEBI:35705)
fingolimod hydrochloride (CHEBI:63112) has role prodrug (CHEBI:50266)
fingolimod hydrochloride (CHEBI:63112) has role sphingosine-1-phosphate receptor agonist (CHEBI:63114)
fingolimod hydrochloride (CHEBI:63112) is a hydrochloride (CHEBI:36807)
IUPAC Name 
2-amino-2-[2-(4-octylphenyl) ethyl]-1,3-propanediol hydrochloride
Synonyms  Source
2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochlorideChemIDplus
2-amino-2-(2-(4-octylphenyl)ethyl)propane-1,3-diol hydrochlorideChEBI
Fingolimod HClChemIDplus
FTY-720ChemIDplus
FTY720ChemIDplus
Brand Name  Source
GilenyaChemIDplus
Manual XrefsDatabases
D04187KEGG DRUG
Registry NumbersSources
Reaxys:7837310Reaxys
CAS:162359-56-0ChemIDplus
Citations