pyrimethamine

Ligand id: 4800

Name: pyrimethamine

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: pyrimethamine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 77.82
Molecular weight 248.08
XLogP 2.32
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!)

Bioactivity Comments
Exhibits antimalarial activity (inhibition of [3H]hypoxanthine incorporation after 72 hrs) against Plasmodium falciparum D6 harboring Plasmodium vivax dihydrofolate reductase mutant (F57L and S117N) in infected red blood cells with an IC50 of 3.66nM [1].
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Multidrug and toxin extrusion Inhibitor Inhibition 7.1 pKi - 2
pKi 7.1 (Ki 7.7x10-8 M) [2]
Selectivity at mouse transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
MATE2 Inhibitor Inhibition 6.3 pKi - 2
pKi 6.3 (Ki 4.6x10-7 M) [2]