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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL35228
CHEMBL35228
Compound Name PYRONARIDINE
ChEMBL Synonyms Pyronaridine
Max Phase 4 (Approved)
Trade Names
Molecular Formula C29H32ClN5O2

Additional synonyms for CHEMBL35228 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2nc3cc(Cl)ccc3c(Nc4cc(CN5CCCC5)c(O)c(CN6CCCC6)c4)c2n1
Standard InChI InChI=1S/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21( ...
Download InChI
Standard InChI Key DJUFPMUQJKWIJB-UHFFFAOYSA-N

Sources

  • Manually Added Drugs
  • Open Source Malaria Screening
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL35228

Molecule Features

CHEMBL35228 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov PYRONARIDINE
The Cochrane Collaboration PYRONARIDINE

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 CHEMBL35228. 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
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.990

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4697 Hexose transporter 1 Plasmodium falciparum 1.000
CHEMBL2535 Glucose transporter Homo sapiens 1.000
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.987
CHEMBL240 HERG Homo sapiens 0.828

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
518.1 517.2245 6.2 7 73.75 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 2 2 7 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
8.2 10.2 4.86 1.15 4 37 0.22

Structural Alerts

There are 5 structural alerts for CHEMBL35228. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DJUFPMUQJKWIJB-UHFFFAOYSA-N
PubChem SID: 174006948
Wikipedia Pyronaridine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL35228



ACToR 74847-35-1
BindingDB 53353
ChEBI 135951
DrugBank DB12975
DrugCentral 4339
eMolecules 4722970
FDA SRS TD3P7Q3SG6
IBM Patent System 7E2FD20B2AB2638F0E42832CB914D978
Mcule MCULE-5937980989
MolPort MolPort-002-507-948
Nikkaji J126.219J
PubChem: Thomson Pharma 14836281
SureChEMBL SCHEMBL247252
ZINC ZINC000003882897

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