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 4.29
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

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