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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL43128
CHEMBL43128
Compound Name PRIMAQUINE PHOSPHATE
ChEMBL Synonyms Primaquine | PRIMAQUINE PHOSPHATE | PRIMACHINE PHOSPHATE
Max Phase 4 (Approved)
Trade Names Primaquine
Molecular Formula C15H27N3O9P2

Additional synonyms for CHEMBL43128 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1cc(NC(C)CCCN)c2ncccc2c1.OP(=O)(O)O.OP(=O)(O)O
Standard InChI InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9- ...
Download InChI
Standard InChI Key GJOHLWZHWQUKAU-UHFFFAOYSA-N

Sources

  • Harvard Malaria Screening
  • Manually Added Drugs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL43128

Molecule Features

CHEMBL43128 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
Unknown Not Available PubMed

Clinical Data

ClinicalTrials.gov PRIMAQUINE PHOSPHATE
The Cochrane Collaboration PRIMAQUINE PHOSPHATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
259.4 259.1685 2 6 60.17 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 4 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.38 2.74 .01 2 19 0.83

Structural Alerts

There are no structural alerts for CHEMBL43128

Compound Cross References

ChemSpider ChemSpider:GJOHLWZHWQUKAU-UHFFFAOYSA-N
DailyMed primaquine phosphate
PubChem SID: 144203901 SID: 170465072 SID: 26748220

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL43128



ACToR 63-45-6
eMolecules 484213
EPA CompTox Dashboard DTXSID6045248
Mcule MCULE-4488548921
MolPort MolPort-003-666-267
PubChem 43834506 6135
PubChem: Thomson Pharma 14857878
Selleck primaquine-diphosphate
SureChEMBL SCHEMBL41096

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