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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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Unknown Not Available EMA PubMed

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:Discontinued

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

Alternate Forms of Compound in ChEMBL


CHEMBL35228

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 0.991

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL267 Tyrosine-protein kinase SRC Homo sapiens 0.987
CHEMBL240 HERG Homo sapiens 0.504
CHEMBL4078 Acetylcholinesterase Electrophorus electricus 0.281
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.223

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

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
BindinDB 53353
eMolecules 4722970
FDA SRS TD3P7Q3SG6
IBM Patent System 7E2FD20B2AB2638F0E42832CB914D978
IBM Patents US20090203678 WO2010086177A1 EP1071409A2 WO2007046075A1 WO2009132921A1 WO2009007376A1 WO2007014450A1 US7511117 WO2002083641A2 WO2007103286A2 US20040242548 EP0938306B1 WO2002038534A2 US20080027079 EP2266625A2 EP1272161B1 WO2006135602A2 WO2006031420A2 US20080226601 US20080125411 US20080131873 EP2200428A1 US20060205674 EP2046339A1 WO2006120495A1 EP1399414B1 WO2006026556A2 US20080293619 WO2009058859A2 US20090209557 WO2002085303A2 US20090208476 WO2006127477A3 WO2009141782A1 US6680308 WO2009032975A1 EP0831806A1 WO2009078977A2 WO2004060352A1 US20100056494 US20030036532 WO2006127514A2 US20030162748 EP1399414A2 EP0422097A1 US20080234272 WO2006049391A1 WO2004038001A2 US6638957 WO2006127477A2 WO2003095459A2 US5834505 EP1933809A2 US5510356 WO1998018462A1 WO2008070666A2 EP2266622A2 US7132431 WO2008070672A2 US20090226405 WO2009043902A1 US20020107266 EP1883452A2 EP1903873A2 US5278173 US6753324 WO2002048097A1 US20080311191 WO2007149211A1 US20060251639 WO2010032165A2 WO1993015727A1 EP1883650A2 WO1993007126A1 EP1274679A1 WO2009152356A2 EP2203457A2 WO2006120568A2 US5637594 WO2010040187A1 EP2186793A1 EP1940814A1 WO2006027711A2 WO2010040188A1 US20100197640 US20080260824 US20090047234 WO2005107470A2 US20080076762 WO2001014331A2 US7740857 EP1969377A1 WO2004080420A2 US7338766 US20040033994 WO2010150100A1 US20040067927 US20090191623 WO2005058822A1 EP1173183A2
Mcule MCULE-5937980989
MolPort MolPort-002-507-948
Nikkaji J126.219J
PubChem: Thomson Pharma 14836281
SureChEMBL SCHEMBL247252

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