Ligand id: 9740

Name: P218

Structure and Physico-chemical Properties

2D Structure
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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

Guide to Malaria Pharmacology Comments
P218 was selected from a structure-informed drug discovery process to develop inhibitors of the clinically validated target P. falciparum dihydrofolate reductase (PfDHFR) [4]. The compound is example 8 from patent WO2009048957 [3].

Potential Target/Mechanism Of Action: P218 potentially inhibits both wild-type and clinically relevant mutated forms of PfDHFR.
Target Candidate Profiles
Profile Intended Use Target Stage Comment References
TCP-1 reduce parasite burden asexual blood stages
TCP-4 chemoprotection hepatic schizonts
TCP-5 transmission reduction gametocytes