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 GtoPdb and ChEMBL (where available) across species

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