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 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 Agonist 9.1 pKi - 7
pKi 9.1 (Ki 8x10-10 M) [7]
5-HT2A receptor Hs Agonist Partial agonist 9.0 pKi - 9
pKi 9.0 [9]
5-HT2B receptor Hs Agonist Partial agonist 8.5 – 8.9 pKi - 9,15
pKi 8.5 – 8.9 [9,15]
5-HT2C receptor Hs Agonist Partial agonist 8.7 pKi - 9
pKi 8.7 [9]
5-HT5A receptor Hs Antagonist Antagonist 8.0 – 8.7 pKi - 8,14
pKi 8.0 – 8.7 [8,14]
5-HT6 receptor Hs Agonist Full agonist 8.0 – 8.6 pKi - 3,5
pKi 8.0 – 8.6 [3,5]
5-HT5A receptor Rn Antagonist Antagonist 8.2 pKi - 6
pKi 8.2 [6]
5-HT2A receptor Rn Agonist Partial agonist 8.0 pKi - 15
pKi 8.0 [15]
5-HT2C receptor Rn Agonist Partial agonist 7.9 pKi - 15
pKi 7.9 [15]
5-HT5A receptor Mm Antagonist Antagonist 7.4 – 8.4 pKi - 8,11,16
pKi 7.4 – 8.4 [8,11,16]
5-HT6 receptor Rn Agonist Full agonist 7.0 – 8.6 pKi - 2,4-5
pKi 7.0 – 8.6 [2,4-5]
5-HT7 receptor Mm Antagonist Antagonist 7.3 pKi - 13
pKi 7.3 [13]
5-HT1F receptor Hs Agonist Full agonist 6.8 pKi - 1
pKi 6.8 [1]
5-ht1e receptor Hs Agonist Full agonist 6.2 – 6.3 pKi - 1,12
pKi 6.2 – 6.3 [1,12]
5-HT1F receptor Rn Agonist Full agonist 7.3 pIC50 - 10
pIC50 7.3 [10]
Ligand mentioned in the following text fields