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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: | CB1 receptor antagonist An antagonist that binds to and deactivates type 1 cannabinoid 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. 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. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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 (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 | KEGG DRUG |
| fingolimod | WHO MedNet |
| fingolimod | WHO MedNet |
| fingolimodum | WHO MedNet |
| Synonyms | Source |
|---|---|
| FTY720 | ChEBI |
| FTY-720 | DrugCentral |
| Manual Xrefs | Databases |
|---|---|
| D10001 | KEGG DRUG |
| Fingolimod | Wikipedia |
| DB08868 | DrugBank |
| 4167 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7811195 | Reaxys |
| CAS:162359-55-9 | KEGG DRUG |
| CAS:162359-55-9 | ChemIDplus |
| Citations |
|---|