loading...| Preferred Name |
fingolimod |
|
| Synonyms |
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol fingolimodum FTY-720 FTY720 fingolimod |
|
| Definitions |
An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63115 |
|
| charge |
0 |
|
| database_cross_reference |
Reaxys:7811195 PMID:23167788 PMID:23531349 PMID:21394595 PMID:23541049 PMID:19940275 CAS:162359-55-9 PMID:23518370 PMID:21652609 PMID:21280229 PMID:16571654 PMID:21789537 PMID:21425262 PMID:21838759 PMID:17203219 PMID:21845450 PMID:21045201 PMID:21045200 PMID:23261767 PMID:23183172 PMID:23471662 PMID:23223539 PMID:21906625 PMID:21669553 Drug_Central:4167 PMID:23211038 PMID:21456524 PMID:23508350 PMID:21790210 PMID:23073075 PMID:21955849 Wikipedia:Fingolimod KEGG:D10001 PMID:21459808 DrugBank:DB08868 PMID:11888913 |
|
| formula |
C19H33NO2 |
|
| has exact synonym |
2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_63114 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
fingolimodum FTY-720 FTY720 fingolimod |
|
| id |
CHEBI:63115 |
|
| imported from | ||
| in subset | ||
| 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 |
|
| is conjugate base of | ||
| label |
fingolimod |
|
| mass |
307.47080 |
|
| monoisotopicmass |
307.25113 |
|
| notation |
CHEBI:63115 |
|
| prefLabel |
fingolimod |
|
| smiles |
CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1 |
|
| textual definition |
An aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. |
|
| subClassOf |
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