oxymetazoline

Ligand id: 124

Name: oxymetazoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 44.62
Molecular weight 260.19
XLogP 3.55
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-HT1B receptor Agonist Full agonist 9.5 pKi - 4
pKi 9.5 [4]
5-HT1D receptor Agonist Partial agonist 9.4 pKi - 4
pKi 9.4 [4]
α2A-adrenoceptor Agonist Partial agonist 8.0 – 8.6 pKi - 3,5,10
pKi 8.0 – 8.6 (Ki 1x10-8 – 2.8x10-9 M) [3,5,10]
α1A-adrenoceptor Agonist Full agonist 8.0 – 8.2 pKi - 2,7-9
pKi 8.0 – 8.2 [2,7-9]
α2C-adrenoceptor Agonist Partial agonist 6.7 pKi - 3,10
pKi 6.7 [3,10]
5-HT2C receptor Agonist Full agonist 6.3 – 6.8 pKi - 1
pKi 6.3 – 6.8 [1]
α1B-adrenoceptor Agonist Full agonist 6.5 pKi - 7-8
pKi 6.5 [7-8]
α1D-adrenoceptor Agonist Partial agonist 6.4 pKi - 7-8
pKi 6.4 [7-8]
α2B-adrenoceptor Agonist Partial agonist 5.5 – 6.2 pKi - 3,10
pKi 5.5 – 6.2 [3,10]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α1D-adrenoceptor Agonist Partial agonist 6.2 pKi - 6
pKi 6.2 [6]
Ligand mentioned in the following text fields