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 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
α1A-adrenoceptor Hs Antagonist Antagonist 8.6 pKi - 3
pKi 8.6 [3]
α2A-adrenoceptor Hs Antagonist Antagonist 8.4 pKi - 1-2
pKi 8.4 [1-2]
α1D-adrenoceptor Hs Antagonist Inverse agonist 8.2 pKi - 3
pKi 8.2 [3]
α2B-adrenoceptor Hs Antagonist Antagonist 8.2 pKi - 1-2
pKi 8.2 [1-2]
α1A-adrenoceptor Rn Antagonist Antagonist 8.1 pKi - 4
pKi 8.1 [4]
α2C-adrenoceptor Hs Antagonist Antagonist 7.6 – 7.9 pKi - 1-2
pKi 7.6 – 7.9 [1-2]
α1B-adrenoceptor Hs Antagonist Antagonist 7.5 pKi - 3
pKi 7.5 [3]