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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 Chloroquine Diphosphate | Chloroquine Phosphate | Aralen | 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

Mechanism of Action

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

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

Clinical Data

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

Structural Alerts

There are 1 structural alerts for CHEMBL1326. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1326

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
CHEMBL5903 Activin receptor type-1 Homo sapiens 0.689
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.340

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2414 C-C chemokine receptor type 4 Homo sapiens 1.000
CHEMBL3241 Histamine N-methyltransferase Rattus norvegicus 0.995
CHEMBL5903 Activin receptor type-1 Homo sapiens 0.965
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.581
CHEMBL3721 Cytochrome P450 2C8 Homo sapiens 0.472
CHEMBL1957 Insulin-like growth factor I receptor Homo sapiens 0.296
CHEMBL2041 Tyrosine-protein kinase receptor RET Homo sapiens 0.221

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

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
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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