almotriptan   Click here for help

GtoPdb Ligand ID: 7110

Synonyms: Almogran® | Axert® | LAS-31416 | PNU-180638E
Approved drug
almotriptan is an approved drug (FDA (2001), UK (2013))
Compound class: Synthetic organic
Comment: Almotriptan is a triptan (tryptamine-based) drug that acts as an agonist of serotonin 5-HT1B/1D receptors [1]. It is used to treat migraine headaches but does not prevent or cure them.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 64.79
Molecular weight 335.17
XLogP 1.63
No. Lipinski's rules broken 0
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Canonical SMILES CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C
Isomeric SMILES CN(CCc1c[nH]c2c1cc(cc2)CS(=O)(=O)N1CCCC1)C
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2001), UK (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7463 almotriptan
Synonyms Click here for help
Almogran® | Axert® | LAS-31416 | PNU-180638E
Database Links Click here for help
Specialist databases
GPCRdb Ligand almotriptan
Other databases
CAS Registry No. 154323-57-6
ChEMBL Ligand CHEMBL1505
DrugBank Ligand DB00918
DrugCentral Ligand 128
GtoPdb PubChem SID 178103687
PubChem CID 123606
Search Google for chemical match using the InChIKey WKEMJKQOLOHJLZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey WKEMJKQOLOHJLZ-UHFFFAOYSA-N
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Wikipedia almotriptan