phentolamine

Ligand id: 502

Name: phentolamine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 47.86
Molecular weight 281.15
XLogP 3.73
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
α1A-adrenoceptor Antagonist Antagonist 8.6 pKi - 3
pKi 8.6 [3]
α2A-adrenoceptor Antagonist Antagonist 8.4 pKi - 1-2
pKi 8.4 [1-2]
α1D-adrenoceptor Antagonist Inverse agonist 8.2 pKi - 3
pKi 8.2 [3]
α2B-adrenoceptor Antagonist Antagonist 8.2 pKi - 1-2
pKi 8.2 [1-2]
α2C-adrenoceptor Antagonist Antagonist 7.6 – 7.9 pKi - 1-2
pKi 7.6 – 7.9 [1-2]
α1B-adrenoceptor Antagonist Antagonist 7.5 pKi - 3
pKi 7.5 [3]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1A-adrenoceptor Antagonist Antagonist 8.1 pKi - 4
pKi 8.1 [4]