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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2052012
Compound Name [3H]-CHLOROQUINE
ChEMBL Synonyms Chloroquine [3H]
Max Phase 0
Trade Names
Molecular Formula C18ClN3T26

Additional synonyms for CHEMBL2052012 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [3H]N(c1c([3H])c([3H])nc2c([3H])c(Cl)c([3H])c([3H])c12)C([3H ...
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Standard InChI InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-1 ...
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  • Scientific Literature

Alternate Forms of Compound in ChEMBL


Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2052012. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


ChEMBL_ID Target Name Organism Score
CHEMBL1923 Histidine-rich protein Plasmodium falciparum 1.000


ChEMBL_ID Target Name Organism Score
CHEMBL1923 Histidine-rich protein Plasmodium falciparum 1.000
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 1.000
CHEMBL3241 Histamine N-methyltransferase Rattus norvegicus 0.988
CHEMBL2535 Glucose transporter Homo sapiens 0.950
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.815
CHEMBL5903 Activin receptor type-1 Homo sapiens 0.709
CHEMBL1919 Voltage-gated calcium channel alpha2/delta subunit 1 Homo sapiens 0.591
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.336
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.294
CHEMBL5131 Trypanothione reductase Trypanosoma cruzi 0.277

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
319.9 319.1815 4.35 8 28.16 BASE

HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0

ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.47 4.41 1.59 2 22 0.78

Structural Alerts

There are 1 structural alerts for CHEMBL2052012. To view alerts please click here.

Compound Cross References


UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2052012

PubChem 70686330

UniChem REST Service Call: spacer