P218

Ligand id: 9740

Name: P218

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 133.58
Molecular weight 360.18
XLogP 1.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid
Comments
P218 is an antifolate compound with potent antimalarial activity [3].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
GtoPdb PubChem SID 374883828
PubChem CID 66563688
RCSB PDB Ligand MMV
Search Google for chemical match using the InChIKey VDGXZSSDCDPCRF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VDGXZSSDCDPCRF
Search UniChem for chemical match using the InChIKey VDGXZSSDCDPCRF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VDGXZSSDCDPCRF