quinine

Ligand id: 2510

Name: quinine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 45.59
Molecular weight 324.18
XLogP 2.66
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!)

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
CYP3A4
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv2.2 Channel blocker - 4.9 pIC50 - 2
pIC50 4.9 [2]
VRAC Channel blocker - - - -
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Plasma membrane monoamine transporter Inhibitor Inhibition 4.6 pKi - 1,3
pKi 4.6 (Ki 2.69x10-5 M) [1,3]
Ligand mentioned in the following text fields