Ligand Id: 54
Ligand name sumatriptan

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

Summary Biological activity References Structure Similar ligands Radio analogues
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved; investigational
IUPAC Name
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
International Nonproprietary Names
INN number INN
6125 sumatriptan
Synonyms
1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide
Imigran
Imitrex
Sumatran
Sumatriptanum
Sumax
Database Links
CAS Registry No. 103628-46-2 (source: DrugBank)
ChEBI CHEBI:10650
ChEMBL Ligand 127111
DrugBank Ligand DB00669
Human Metabolome Database HMDB05037
PharmGKB Drug PA451566
PubChem CID 5358
Search on ChemSpider KQKPFRSPSRPDEB-UHFFFAOYSA-N
Wikipedia Sumatriptan
ZINC ZINC00014360
iPHACE FFMY0NV5

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org

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