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CHEBI:63115 - fingolimod
| Formula | C19H33NO2 |
| Net Charge | 0 |
| Average Mass | 307.478 |
| Monoisotopic Mass | 307.25113 |
| SMILES | CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 |
| InChI | InChI=1S/C19H33NO2/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 |
| InChIKey | KKGQTZUTZRNORY-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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. CB1 receptor antagonist An antagonist that binds to and deactivates type 1 cannabinoid receptors. |
| Applications: | 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| fingolimod (CHEBI:63115) has role antineoplastic agent (CHEBI:35610) |
| fingolimod (CHEBI:63115) has role CB1 receptor antagonist (CHEBI:73416) |
| fingolimod (CHEBI:63115) has role immunosuppressive agent (CHEBI:35705) |
| fingolimod (CHEBI:63115) has role prodrug (CHEBI:50266) |
| fingolimod (CHEBI:63115) has role sphingosine-1-phosphate receptor agonist (CHEBI:63114) |
| fingolimod (CHEBI:63115) is a aminodiol (CHEBI:22501) |
| fingolimod (CHEBI:63115) is a primary amino compound (CHEBI:50994) |
| fingolimod (CHEBI:63115) is conjugate base of fingolimod(1+) (CHEBI:63113) |
| Incoming Relation(s) |
| 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708) has functional parent fingolimod (CHEBI:63115) |
| fingolimod phosphate (CHEBI:73420) has functional parent fingolimod (CHEBI:63115) |
| fingolimod(1+) (CHEBI:63113) is conjugate acid of fingolimod (CHEBI:63115) |
| IUPAC Name |
|---|
| 2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol |
| INNs | Source |
|---|---|
| fingolimod | WHO MedNet |
| fingolimod | KEGG DRUG |
| fingolimod | WHO MedNet |
| fingolimodum | WHO MedNet |
| Synonyms | Source |
|---|---|
| FTY-720 | DrugCentral |
| FTY720 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 4167 | DrugCentral |
| D10001 | KEGG DRUG |
| DB08868 | DrugBank |
| Fingolimod | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7811195 | Reaxys |
| CAS:162359-55-9 | KEGG DRUG |
| CAS:162359-55-9 | ChemIDplus |
| Citations |
|---|