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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL472698
CHEMBL472698
Compound Name PAMAQUINE NAPHTHOATE
ChEMBL Synonyms PAMAQUINE NAPHTHOATE | AMINOQUIN NAPHTHOATE
Max Phase 0
Trade Names
Molecular Formula C19H29N3O

Additional synonyms for CHEMBL472698 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(CC)CCCC(C)Nc1cc(OC)cc2cccnc12
Standard InChI InChI=1S/C19H29N3O/c1-5-22(6-2)12-8-9-15(3)21-18-14-17(23-4) ...
Download InChI
Standard InChI Key QTQWMSOQOSJFBV-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL472698

Molecule Features

CHEMBL472698 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov PAMAQUINE NAPHTHOATE
The Cochrane Collaboration PAMAQUINE NAPHTHOATE

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 CHEMBL472698. 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
CHEMBL1919 Voltage-gated calcium channel alpha2/delta subunit 1 Homo sapiens 0.289

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1919 Voltage-gated calcium channel alpha2/delta subunit 1 Homo sapiens 0.622
CHEMBL2535 Glucose transporter Homo sapiens 0.472
CHEMBL3959 Quinone reductase 2 Homo sapiens 0.304
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 0.276
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.238

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
315.5 315.2311 3.66 9 37.39 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.48 4.38 1.58 2 23 0.77

Structural Alerts

There are 1 structural alerts for CHEMBL472698. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:QTQWMSOQOSJFBV-UHFFFAOYSA-N
Wikipedia Pamaquine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL472698



ChEBI 135350
DrugCentral 3416
IBM Patent System 8986449897D48EDB26566A356FBBAD57
Mcule MCULE-5445201206
Nikkaji J6.057G
PharmGKB PA166115579
PubChem 10290
PubChem: Thomson Pharma 14825902
SureChEMBL SCHEMBL156942

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