methnaridine   Click here for help

GtoPdb Ligand ID: 11318

Antimalarial Ligand
Compound class: Synthetic organic
Comment: Methnaridine is a novel benzonaphthyridine antimalarial compound, identified from a structural optimization study of pyronaridine [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 73.75
Molecular weight 465.19
XLogP 3.89
No. Lipinski's rules broken 0
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Canonical SMILES COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl
Isomeric SMILES COc1ccc2c(n1)c(Nc1cc(CN(C)C)c(c(c1)CN(C)C)O)c1c(n2)cc(cc1)Cl
InChI InChI=1S/C25H28ClN5O2/c1-30(2)13-15-10-18(11-16(25(15)32)14-31(3)4)27-23-19-7-6-17(26)12-21(19)28-20-8-9-22(33-5)29-24(20)23/h6-12,32H,13-14H2,1-5H3,(H,27,28)
Classification Click here for help
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name Click here for help
Database Links Click here for help
GtoPdb PubChem SID 434321753
PubChem CID 154733036
Search Google for chemical match using the InChIKey CYNAGHGKNNKEIO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CYNAGHGKNNKEIO
UniChem Compound Search for chemical match using the InChIKey CYNAGHGKNNKEIO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey CYNAGHGKNNKEIO-UHFFFAOYSA-N