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

Selectivity data from the Guide to Receptors and Channels (GRAC), 5th Edition.

Selectivity at human targets (unless otherwise stated)
Key to terms and symbols Click column headers to sort
Receptor Type Action Affinity Units Concentration range (M) Reference
5-HT1B receptor Agonist Partial agonist 6.5 – 8.1 pKi - 1,3-8
5-HT1D receptor Agonist Full agonist 8.0 – 8.7 pKi - 1,3-4,8-9
5-HT1F receptor Agonist Full agonist 7.2 – 7.9 pKi - 2-3,11,14

Selectivity data from IUPHAR-DB

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Receptor Type Action Affinity Units Concentration range (M) Reference
5-HT1D receptor Agonist Full agonist 8.0 – 8.7 pKi - 1,3-4,8-9
5-HT1F receptor Agonist Full agonist 7.2 – 7.9 pKi - 2-3,11,14
5-HT1B receptor Agonist Partial agonist 6.5 – 8.1 pKi - 1,3-8
5-HT1A receptor Agonist Full agonist 6.0 pKi - 3
5-HT7 receptor Antagonist Antagonist 5.7 – 6.0 pKi - 22-23
5-ht1e receptor Agonist Full agonist 5.6 – 5.8 pKi - 3,5,10-12
5-HT6 receptor Antagonist Antagonist 5.6 pKi - 18
5-ht5a receptor Agonist Full agonist 5.3 pKi - 15,17
5-HT1F receptor Agonist Full agonist 7.2 pIC50 - 13
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Receptor Type Action Affinity Units Concentration range (M) Reference
5-ht5a receptor Agonist Full agonist 4.8 pKi - 16-17
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Receptor Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Antagonist Antagonist 6.2 – 6.6 pKi - 20-21
5-HT6 receptor Antagonist Antagonist 5.2 pKi - 19

Please note: The activity data given on this ligand page represents selected literature values and may not include all reported data.
For more details please contact: curators@iuphar-db.org