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 GtoPdb and ChEMBL (where available) across species

Enzymes Catalysing Reactions with this Compound as a Substrate or Product
Enzyme EC number Reaction Reference
CYP3A4
Selectivity at ion channels
Key to terms and symbols Click on species/strain names for details Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
K2P18.1 N/A Channel blocker - - - 1x10-4 - 2x10-4
Conc range: 1x10-4 - 2x10-4 M
Kv2.2 Hs Channel blocker - 4.9 pIC50 - 2
pIC50 4.9 [2]
VRAC Hs Channel blocker - - - -
Selectivity at transporters
Key to terms and symbols Click on species/strain names for details Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Plasma membrane monoamine transporter Hs Inhibitor Inhibition 4.6 pKi - 1,3
pKi 4.6 (Ki 2.69x10-5 M) [1,3]
Ligand mentioned in the following text fields