pyronaridine

Ligand id: 10086

Name: pyronaridine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 73.75
Molecular weight 517.22
XLogP 4.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
International Nonproprietary Names
INN number INN
8833 pyronaridine
Synonyms
7351 | Malaridine®
Comments
Pyronaridine is a benzonaphthyridine derivative with potent antimalarial activity.
Note that our structure is an exact match for the chemical structure in the INN record for this compound. PubChem CID 5485198 provides a different InChIKey YFYLPWJKCSESGB-UHFFFAOYSA-N (link in table below).

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
CAS Registry No. 74847-35-1 (source: Scifinder)
ChEBI CHEBI:135951
ChEMBL Ligand CHEMBL35228
GtoPdb PubChem SID 381118796
PubChem CID 5485198
Search Google for chemical match using the InChIKey DJUFPMUQJKWIJB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DJUFPMUQJKWIJB
Search PubMed clinical trials pyronaridine
Search PubMed titles pyronaridine
Search PubMed titles/abstracts pyronaridine
Search UniChem for chemical match using the InChIKey DJUFPMUQJKWIJB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DJUFPMUQJKWIJB