bromocriptine

Ligand id: 35

Name: bromocriptine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 118.21
Molecular weight 653.22
XLogP 3.49
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 Partial agonist 8.0 pKi - 4
pKi 8.0 [4]
α2A-adrenoceptor Antagonist Antagonist 8.0 pKi - 4
pKi 8.0 [4]
5-HT1A receptor Agonist Partial agonist 7.9 pKi - 4
pKi 7.9 [4]
D2 receptor Agonist Full agonist 7.3 – 8.3 pKi - 2,4-5
pKi 7.3 – 8.3 [2,4-5]
D3 receptor Agonist Partial agonist 7.1 – 8.2 pKi - 2,4-5
pKi 7.1 – 8.2 [2,4-5]
α2C-adrenoceptor Antagonist Antagonist 7.6 pKi - 4
pKi 7.6 [4]
5-HT6 receptor Agonist Full agonist 7.5 pKi - 3
pKi 7.5 [3]
α2B-adrenoceptor Antagonist Antagonist 7.5 pKi - 4
pKi 7.5 [4]
5-HT2B receptor Antagonist Antagonist 7.3 pKi - 4
pKi 7.3 [4]
5-HT2A receptor Agonist Partial agonist 7.0 pKi - 4
pKi 7.0 [4]
5-HT1B receptor Agonist Partial agonist 6.5 pKi - 4
pKi 6.5 [4]
D4 receptor Antagonist Antagonist 6.4 pKi - 4
pKi 6.4 [4]
D5 receptor Agonist Full agonist 6.3 pKi - 4,8
pKi 6.3 [4,8]
D1 receptor Agonist Partial agonist 6.2 pKi - 4,8
pKi 6.2 [4,8]
5-HT2C receptor Agonist Partial agonist 6.1 pKi - 4
pKi 6.1 [4]
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 7.3 – 8.0 pKi - 6
pKi 7.3 – 8.0 [6]
5-HT6 receptor Agonist Partial agonist 7.5 pKi - 1
pKi 7.5 [1]
D2 receptor Agonist Partial agonist 7.3 pKi - 7
pKi 7.3 [7]
D3 receptor Agonist Full agonist 7.1 pKi - 7
pKi 7.1 [7]