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 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
α2A-adrenoceptor Hs Agonist Partial agonist 7.2 – 9.2 pKi - 1,4-5
pKi 7.2 – 9.2 [1,4-5]
α2B-adrenoceptor Hs Agonist Partial agonist 6.7 – 9.5 pKi - 1,4-5
pKi 6.7 – 9.5 [1,4-5]
α1D-adrenoceptor Rn Agonist Full agonist 6.9 pKi - 3
pKi 6.9 [3]
α2C-adrenoceptor Hs Agonist Partial agonist 6.0 – 7.8 pKi - 1,4-5
pKi 6.0 – 7.8 [1,4-5]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
HCN2 Mm Channel blocker Antagonist 5.1 pIC50 - 2
pIC50 5.1 [2]
Voltage: -40.0 mV
HCN4 Mm Channel blocker Antagonist 5.0 pIC50 - 2
pIC50 5.0 [2]
Voltage: -40.0 mV
HCN1 Mm Channel blocker Antagonist 4.4 pIC50 - 2
pIC50 4.4 [2]
Voltage: -40.0 mV
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Organic cation transporter 1 Hs Inhibitor Inhibition 6.3 pKi - 6
pKi 6.3 (Ki 5.5x10-7 M) [6]
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