dihydroergotamine

Ligand id: 121

Name: dihydroergotamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 118.21
Molecular weight 583.28
XLogP 4.17
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1D receptor Agonist Full agonist 9.2 – 9.9 pKi - 4-6
pKi 9.2 – 9.9 [4-6]
5-HT1B receptor Agonist Full agonist 8.0 – 9.2 pKi - 6,8
pKi 8.0 – 9.2 [6,8]
5-HT7 receptor Antagonist Antagonist 8.0 pKi - 2
pKi 8.0 [2]
5-HT1F receptor Agonist Full agonist 6.6 – 7.1 pKi - 1,10
pKi 6.6 – 7.1 [1,10]
5-ht1e receptor Agonist Full agonist 5.6 pKi - 8
pKi 5.6 [8]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT6 receptor Antagonist Antagonist 7.9 – 8.3 pKi - 3,7
pKi 7.9 – 8.3 [3,7]
5-HT7 receptor Antagonist Antagonist 6.8 pKi - 9
pKi 6.8 [9]
Ligand mentioned in the following text fields