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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1669
CHEMBL1669
Compound Name CHLOROQUINE HYDROCHLORIDE
ChEMBL Synonyms CHLOROQUINE HYDROCHLORIDE | ARALEN HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names Aralen hydrochloride
Molecular Formula C18H27Cl2N3

Additional synonyms for CHEMBL1669 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
Standard InChI InChI=1S/C18H26ClN3.ClH/c1-4-22(5-2)12-6-7-14(3)21-17-10-11- ...
Download InChI
Standard InChI Key PTGMKRAMUHJZFD-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL1669

Molecule Features

CHEMBL1669 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 CHEMBL1669. 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.


10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 1.000
CHEMBL3241 Histamine N-methyltransferase Rattus norvegicus 0.990
CHEMBL2535 Glucose transporter Homo sapiens 0.988
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.942
CHEMBL5903 Activin receptor type-1 Homo sapiens 0.732
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.381
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.332

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 CHEMBL1669. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PTGMKRAMUHJZFD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1669



ACToR 3545-67-3
PubChem 11717374
PubChem: Thomson Pharma 16822404
SureChEMBL SCHEMBL41313

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