sumatriptan

Ligand id: 54

Name: sumatriptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 73.58
Molecular weight 295.14
XLogP 0.97
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1992))
IUPAC Name
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
International Nonproprietary Names
INN number INN
6125 sumatriptan
Synonyms
GR-43175C | Imigran®
Database Links
CAS Registry No. 103628-46-2
ChEBI CHEBI:10650
ChEMBL Ligand CHEMBL128
DrugBank Ligand DB00669
GtoPdb PubChem SID 135651095
PubChem CID 5358
Search Google for chemical match using the InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KQKPFRSPSRPDEB
Search PubMed clinical trials sumatriptan
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Search UniChem for chemical match using the InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KQKPFRSPSRPDEB
Wikipedia Sumatriptan
Comments
Sumatriptan is a selective serotonin 5-HT1B/ID receptor agonist.
Marketed formulations contain sumatriptan succinate (PubChem CID 59772).