chloroquine

Ligand id: 5535

Name: chloroquine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 28.16
Molecular weight 319.18
XLogP 4.27
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

Bioactivity Comments
Chloroquine is active against only the erythrocytic forms of P. vivax, P. malariae, and susceptible strains of P. falciparum (but not the gametocytes of P. falciparum).
In humans, chloroquine inhibits thiamine uptake acting specifically on thiamine transporter 2 (SLC19A3).
Selectivity at GPCRs
Key to terms and symbols Click on species/strain names for details Click column headers to sort
Target Sp. Type Action Affinity Parameter Concentration range (M) Reference
MRGPRX1 Hs Agonist Agonist 3.5 pEC50 - 2
pEC50 3.5 (EC50 2.97x10-4 M) [2]
Whole organism assay data
Key to terms and symbols Click on species/strain names for details Click column headers to sort
MOA/likely target Sp. Assay description Type Action Affinity Parameter Concentration range (M) Reference
Unknown MOA PfD6 Parasite growth inhibition assay - - 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.8x10-9 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfNF54 Parasite growth inhibition assay - - 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.12x10-8 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA Pf7G8 Parasite growth inhibition assay - - 7.2 pIC50 - 1
pIC50 7.2 (IC50 7.03x10-8 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfTM90C2A Parasite growth inhibition assay - - 7.0 pIC50 - 1
pIC50 7.0 (IC50 1.058x10-7 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfK1 Parasite growth inhibition assay - - 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.98x10-7 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfW2 Parasite growth inhibition assay - - 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.683x10-7 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)
Unknown MOA PfV1/S Parasite growth inhibition assay - - 6.5 pIC50 - 1
pIC50 6.5 (IC50 3.04x10-7 M) [3H]-hypoxanthine incorporation [1]
Lifecycle stages: Plasmodium asexual blood stage (erythrocytic merozoite, trophozoite, erythrocytic schizont)