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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL58510
CHEMBL58510
Compound Name CHLOROQUINE DIPHOSPHATE
ChEMBL Synonyms Chloroquine Diphosphate | Chloroquine Phosphate
Max Phase 0
Trade Names
Molecular Formula C18H32ClN3O8P2

Additional synonyms for CHEMBL58510 found using NCI Chemical Identifier Resolver

Compound Representations

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

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL58510

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 CHEMBL58510. 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 CHEMBL58510. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QKICWELGRMTQCR-UHFFFAOYSA-N
PubChem SID: 144203666 SID: 144210036 SID: 170464753 SID: 26747477 SID: 26747478 SID: 50106055

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL58510



ACToR 50-63-5 69698-56-2
eMolecules 492505
EPA CompTox Dashboard DTXSID7044681
Mcule MCULE-4724842928
MolPort MolPort-003-665-488
PubChem 64927 43833344
PubChem: Thomson Pharma 14860493
Selleck chloroquine-phosphate
SureChEMBL SCHEMBL40827

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