clonidine

Ligand id: 516

Name: clonidine

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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 2
Topological polar surface area 36.42
Molecular weight 229.02
XLogP 2.4
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
α2A-adrenoceptor Agonist Partial agonist 7.2 – 9.2 pKi - 1,4-5
pKi 7.2 – 9.2 [1,4-5]
α2B-adrenoceptor Agonist Partial agonist 6.7 – 9.5 pKi - 1,4-5
pKi 6.7 – 9.5 [1,4-5]
α2C-adrenoceptor Agonist Partial agonist 6.0 – 7.8 pKi - 1,4-5
pKi 6.0 – 7.8 [1,4-5]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
Organic cation transporter 1 Inhibitor Inhibition 6.3 pKi - 6
pKi 6.3 (Ki 5.5x10-7 M) [6]
Selectivity at mouse ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
HCN2 Channel blocker Antagonist 5.1 pIC50 - 2
pIC50 5.1 [2]
Voltage: -40.0 mV
HCN4 Channel blocker Antagonist 5.0 pIC50 - 2
pIC50 5.0 [2]
Voltage: -40.0 mV
HCN1 Channel blocker Antagonist 4.4 pIC50 - 2
pIC50 4.4 [2]
Voltage: -40.0 mV
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 Full agonist 6.9 pKi - 3
pKi 6.9 [3]
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