ergotamine

Ligand id: 149

Name: ergotamine

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 581.26
XLogP 3.85
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 Agonist 9.1 pKi - 7
pKi 9.1 (Ki 8x10-10 M) [7]
5-HT2A receptor Agonist Partial agonist 9.0 pKi - 9
pKi 9.0 [9]
5-HT2B receptor Agonist Partial agonist 8.5 – 8.9 pKi - 9,15
pKi 8.5 – 8.9 [9,15]
5-HT2C receptor Agonist Partial agonist 8.7 pKi - 9
pKi 8.7 [9]
5-HT5A receptor Antagonist Antagonist 8.0 – 8.7 pKi - 8,14
pKi 8.0 – 8.7 [8,14]
5-HT6 receptor Agonist Full agonist 8.0 – 8.6 pKi - 3,5
pKi 8.0 – 8.6 [3,5]
5-HT1F receptor Agonist Full agonist 6.8 pKi - 1
pKi 6.8 [1]
5-ht1e receptor Agonist Full agonist 6.2 – 6.3 pKi - 1,12
pKi 6.2 – 6.3 [1,12]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT5A receptor Antagonist Antagonist 7.4 – 8.4 pKi - 8,11,16
pKi 7.4 – 8.4 [8,11,16]
5-HT7 receptor Antagonist Antagonist 7.3 pKi - 13
pKi 7.3 [13]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT5A receptor Antagonist Antagonist 8.2 pKi - 6
pKi 8.2 [6]
5-HT2A receptor Agonist Partial agonist 8.0 pKi - 15
pKi 8.0 [15]
5-HT2C receptor Agonist Partial agonist 7.9 pKi - 15
pKi 7.9 [15]
5-HT6 receptor Agonist Full agonist 7.0 – 8.6 pKi - 2,4-5
pKi 7.0 – 8.6 [2,4-5]
5-HT1F receptor Agonist Full agonist 7.3 pIC50 - 10
pIC50 7.3 [10]
Ligand mentioned in the following text fields