ketanserin

Ligand id: 88

Name: ketanserin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 69.72
Molecular weight 395.16
XLogP 3.33
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-HT2A receptor Antagonist Antagonist 8.1 – 9.7 pKi - 2,8,16
pKi 8.1 – 9.7 (Ki 7.94x10-9 – 1.99x10-10 M) [2,8,16]
α1A-adrenoceptor Antagonist Antagonist 8.2 pKi - 24
pKi 8.2 [24]
α1B-adrenoceptor Antagonist Antagonist 8.2 pKi - 24
pKi 8.2 [24]
α1D-adrenoceptor Antagonist Antagonist 7.8 pKi - 24
pKi 7.8 [24]
5-HT1D receptor Antagonist Antagonist 7.4 – 7.5 pKi - 3,12
pKi 7.4 – 7.5 [3,12]
5-HT2C receptor Antagonist Antagonist 6.8 – 7.5 pKi - 2,6,8,16
pKi 6.8 – 7.5 [2,6,8,16]
D1 receptor Antagonist Antagonist 6.7 pKi - 20
pKi 6.7 [20]
5-HT2B receptor Antagonist Antagonist 6.1 – 6.7 pKi - 2,8,10,16,23
pKi 6.1 – 6.7 [2,8,10,16,23]
5-HT7 receptor Antagonist Antagonist 5.9 – 6.5 pKi - 1,7,9,21
pKi 5.9 – 6.5 [1,7,9,21]
D5 receptor Antagonist Antagonist 5.6 pKi - 20
pKi 5.6 [20]
5-HT1A receptor Antagonist Antagonist 5.0 pKi - 14
pKi 5.0 [14]
5-HT5A receptor Antagonist Antagonist 4.7 pKi - 17
pKi 4.7 [17]
5-HT1B receptor Antagonist Antagonist 5.2 – 5.4 pIC50 - 3,11
pIC50 5.2 – 5.4 [3,11]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
Vesicular monoamine transporter 2 Inhibitor Inhibition 6.3 pKi - 5
pKi 6.3 (Ki 5.4x10-7 M) [5]
Vesicular monoamine transporter 1 Inhibitor Inhibition 5.8 pKi - 5
pKi 5.8 (Ki 1.7x10-6 M) [5]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1B receptor Antagonist Antagonist 8.3 pKi - 13
pKi 8.3 [13]
5-HT7 receptor Antagonist Antagonist 6.4 pKi - 15
pKi 6.4 [15]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2A receptor Antagonist Antagonist 8.6 – 9.0 pKi - 4,18
pKi 8.6 – 9.0 [4,18]
5-HT7 receptor Antagonist Antagonist 6.6 – 6.7 pKi - 19
pKi 6.6 – 6.7 [19]
5-HT2B receptor Antagonist Antagonist 5.4 pKi - 22
pKi 5.4 [22]
Ligand mentioned in the following text fields