CHEBI:50922 - eletriptan

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ChEBI Name eletriptan
ChEBI ID CHEBI:50922
Definition Eletriptan is an N-alkylpyrrolidine, being N-methylpyrrolidine in which the pro-R hydrogen at position 2 is substituted by a {5-[2-(phenylsulfonyl)ethyl]-1H-indol-3-yl}methyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H26N2O2S
Net Charge 0
Average Mass 382.51900
Monoisotopic Mass 382.171
InChI InChI=1S/C22H26N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3/t19-/m1/s1
InChIKey PWVXXGRKLHYWKM-LJQANCHMSA-N
SMILES CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
Roles Classification
Biological Role(s): serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
Application(s): serotonergic agonist
An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders.
vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
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ChEBI Ontology
Outgoing eletriptan (CHEBI:50922) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
eletriptan (CHEBI:50922) has role serotonergic agonist (CHEBI:35941)
eletriptan (CHEBI:50922) has role vasoconstrictor agent (CHEBI:50514)
eletriptan (CHEBI:50922) is a N-alkylpyrrolidine (CHEBI:46775)
eletriptan (CHEBI:50922) is a indoles (CHEBI:24828)
eletriptan (CHEBI:50922) is a sulfone (CHEBI:35850)
eletriptan (CHEBI:50922) is conjugate base of eletriptan(1+) (CHEBI:61177)
Incoming eletriptan(1+) (CHEBI:61177) is conjugate acid of eletriptan (CHEBI:50922)
IUPAC Name
3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5-[2-(phenylsulfonyl)ethyl]-1H-indole
INNs Sources
eletriptán ChEBI
élétriptan ChEBI
eletriptan ChemIDplus
eletriptanum ChEBI
Database Links Databases
995 DrugCentral
D07887 KEGG DRUG
DB00216 DrugBank
Eletriptan Wikipedia
US5545644 Patent
US6110940 Patent
WO9206973 Patent
View more database links
Registry Numbers Types Sources
143322-58-1 CAS Registry Number ChemIDplus
8441596 Reaxys Registry Number Reaxys
Last Modified
22 February 2017
General Comments
2011-02-02 Eletriptan is administered orally as the hydrobromide salt for acute treatment of the headache phase of migraine attacks.
2011-02-02 Eletriptan is a selective serotonin (5HT1) agonist.