cimetidine

Ligand id: 1231

Name: cimetidine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 114.19
Molecular weight 252.12
XLogP 1.27
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

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Multidrug and toxin extrusion 6-7
Organic anion transporter 3 4
MATE2 5,7
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
H2 receptor Hs Antagonist Antagonist 6.8 pKi - 2
pKi 6.8 (Ki 1.4x10-7 M) [2]
H2 receptor Rn Antagonist Antagonist 5.9 pKi - 1
pKi 5.9 [1]
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Multidrug and toxin extrusion Hs Inhibitor Inhibition 6.0 pKi - 8
pKi 6.0 (Ki 1.1x10-6 M) [8]
MATE2 Hs Inhibitor Inhibition 5.1 pKi - 8
pKi 5.1 (Ki 7.3x10-6 M) [8]
Plasma membrane monoamine transporter Hs Inhibitor Inhibition <3.3 pKi - 3,9
pKi <3.3 (Ki >5x10-4 M) [3,9]