EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:63112 - fingolimod hydrochloride
| Formula | C19H33NO2.HCl |
| Net Charge | 0 |
| Average Mass | 343.939 |
| Monoisotopic Mass | 343.22781 |
| SMILES | CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl |
| InChI | InChI=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 |
| InChIKey | SWZTYAVBMYWFGS-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | sphingosine-1-phosphate receptor agonist An agonist that binds to and activates sphingosine 1-phosphate receptors. 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. |
| 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)propane-1,3-diol hydrochloride | ChEBI |
| FTY720 | ChemIDplus |
| FTY-720 | ChemIDplus |
| Fingolimod HCl | ChemIDplus |
| 2-Amino-2-(2-(4-octylphenyl)ethyl)-1,3-propanediol hydrochloride | ChemIDplus |
| Brand Name | Source |
|---|---|
| Gilenya | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D04187 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7837310 | Reaxys |
| CAS:162359-56-0 | ChemIDplus |
| Citations |
|---|