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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1326
CHEMBL1326
Compound Name CHLOROQUINE PHOSPHATE
ChEMBL Synonyms ARALEN | CHLOROQUINE PHOSPHATE | CHLOROQUINE DIPHOSPHATE | Chloroquine
Max Phase 4 (Approved)
Trade Names ARALEN | CHLOROQUINE PHOSPHATE
Molecular Formula C18H29ClN3O4P

Additional synonyms for CHEMBL1326 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OP(=O)(O)O
Standard InChI InChI=1S/C18H26ClN3.H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-1 ...
Download InChI
Standard InChI Key AEUAEICGCMSYCQ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • GSK Malaria Screening
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • St Jude Leishmania Screening
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1326

Molecule Features

CHEMBL1326 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ferriprotoporphyrin IX inhibitor Ferriprotoporphyrin IX PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
MALARIAD008288EFO:0001068MALARIA4DailyMed
ATC
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
ClinicalTrials
DailyMed
DailyMed
DailyMed
HIV INFECTIONSD015658EFO:0000764HIV INFECTION2ClinicalTrials
ClinicalTrials
ATRIAL FIBRILLATIOND001281EFO:0000275ATRIAL FIBRILLATION2ClinicalTrials

Clinical Data

ClinicalTrials.gov CHLOROQUINE PHOSPHATE
The Cochrane Collaboration CHLOROQUINE PHOSPHATE

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 CHEMBL1326. 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.


1uM


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

10uM


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 CHEMBL1326. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AEUAEICGCMSYCQ-UHFFFAOYSA-N
DailyMed chloroquine phosphate
PubChem SID: 50125646 SID: 50125647 SID: 78301

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1326



ACToR 1446-17-9
Brenda 43920
eMolecules 730025
PubChem 83818 57422250
SureChEMBL SCHEMBL40829

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AEUAEICGCMSYCQ-UHFFFAOYSA-N spacer
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