CHEBI:520985 - almotriptan

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ChEBI Name almotriptan
ChEBI ID CHEBI:520985
Definition An indole compound having a 2-(dimethylamino)ethyl group at the 3-position and a (pyrrolidin-1-ylsulfonyl)methyl group at the 5-position.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H25N3O2S
Net Charge 0
Average Mass 335.46400
Monoisotopic Mass 335.167
InChI InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3
InChIKey WKEMJKQOLOHJLZ-UHFFFAOYSA-N
SMILES CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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): 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.
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.
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ChEBI Ontology
Outgoing almotriptan (CHEBI:520985) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
almotriptan (CHEBI:520985) has role serotonergic agonist (CHEBI:35941)
almotriptan (CHEBI:520985) has role vasoconstrictor agent (CHEBI:50514)
almotriptan (CHEBI:520985) is a indoles (CHEBI:24828)
almotriptan (CHEBI:520985) is a sulfonamide (CHEBI:35358)
almotriptan (CHEBI:520985) is a tertiary amine (CHEBI:32876)
Incoming almotriptan malate (CHEBI:53781) has part almotriptan (CHEBI:520985)
IUPAC Name
N,N-dimethyl-2-{5-[(pyrrolidin-1-ylsulfonyl)methyl]-1H-indol-3-yl}ethanamine
INN Source
almotriptan ChemIDplus
Synonym Source
1-(((3-(2-(Dimethylamino)ethyl)indol-5-yl)methyl)sulfonyl)pyrrolidine ChemIDplus
Manual Xrefs Databases
128 DrugCentral
Almotriptan Wikipedia
D02824 KEGG DRUG
DB00918 DrugBank
LSM-25659 LINCS
US5565447 Patent
WO942460 Patent
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Registry Numbers Types Sources
154323-57-6 CAS Registry Number ChemIDplus
154323-57-6 CAS Registry Number KEGG DRUG
8789271 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
17870541 PubMed citation ChEMBL
Last Modified
22 February 2017