loxapine

Ligand id: 205

Name: loxapine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 28.07
Molecular weight 327.11
XLogP 4.31
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
H1 receptor Antagonist Antagonist 8.2 pKi - 4
pKi 8.2 [4]
D2 receptor Antagonist Antagonist 7.9 – 8.3 pKi - 4,9
pKi 7.9 – 8.3 (Ki 1.2x10-8 – 5x10-9 M) [4,9]
D4 receptor Antagonist Antagonist 8.1 pKi - 9
pKi 8.1 (Ki 7.8x10-9 M) [9]
5-HT2A receptor Antagonist Inverse agonist 8.1 pKi - 4
pKi 8.1 [4]
5-HT2C receptor Antagonist Inverse agonist 7.8 – 8.0 pKi - 2,4
pKi 7.8 – 8.0 [2,4]
D3 receptor Antagonist Antagonist 7.7 pKi - 8
pKi 7.7 (Ki 2.1x10-8 M) [8]
5-HT6 receptor Antagonist Inverse agonist 7.4 – 7.6 pKi - 3,6
pKi 7.4 – 7.6 [3,6]
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
KNa1.1 Activator Agonist 5.4 pEC50 - 1
pEC50 5.4 (EC50 4.4x10-6 M) [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT6 receptor Antagonist Inverse agonist 7.2 – 7.8 pKi - 5,7
pKi 7.2 – 7.8 [5,7]
5-HT7 receptor Antagonist Antagonist 6.8 – 7.4 pKi - 7,10
pKi 6.8 – 7.4 [7,10]