pergolide

Ligand id: 48

Name: pergolide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.33
Molecular weight 314.18
XLogP 4.3
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!)

Bioactivity Comments
Pergolide has activity across all of the monoamine receptor families: dopamine receptors, serotonin receptors and adrenoceptors.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1A receptor Agonist Partial agonist 8.7 pKi - 2
pKi 8.7 [2]
D3 receptor Agonist Partial agonist 8.3 pKi - 2,5
pKi 8.3 (Ki 5.01x10-9 M) [2,5]
5-HT2B receptor Agonist Full agonist 8.2 pKi - 2
pKi 8.2 [2]
5-HT2A receptor Agonist Full agonist 8.1 pKi - 2
pKi 8.1 [2]
5-HT1D receptor Agonist Partial agonist 7.9 pKi - 2
pKi 7.9 [2]
D2 receptor Agonist Full agonist 7.5 – 7.6 pKi - 2
pKi 7.5 – 7.6 [2]
α2B-adrenoceptor Agonist Partial agonist 7.5 pKi - 2
pKi 7.5 [2]
α2A-adrenoceptor Agonist Partial agonist 7.3 pKi - 2
pKi 7.3 [2]
α2C-adrenoceptor Agonist Partial agonist 7.2 pKi - 2
pKi 7.2 [2]
D4 receptor Agonist Partial agonist 7.2 pKi - 2
pKi 7.2 [2]
D5 receptor Agonist Full agonist 6.0 – 7.5 pKi - 2,6
pKi 6.0 – 7.5 [2,6]
5-HT1B receptor Agonist Full agonist 6.6 pKi - 2
pKi 6.6 [2]
5-HT2C receptor Agonist Partial agonist 6.5 pKi - 2
pKi 6.5 [2]
D1 receptor Agonist Full agonist 5.9 – 6.5 pKi - 2,6
pKi 5.9 – 6.5 [2,6]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Agonist Full agonist 8.3 – 9.0 pKi - 4
pKi 8.3 – 9.0 [4]
5-HT6 receptor Agonist Full agonist 7.5 pKi - 3
pKi 7.5 [3]
Ligand mentioned in the following text fields