MK-4815   Click here for help

GtoPdb Ligand ID: 10410

Synonyms: MK4815
Antimalarial Ligand
Compound class: Synthetic organic
Comment: MK-4815 is a small molecule with promising antimalarial activity [2].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 46.25
Molecular weight 235.19
XLogP 4.8
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C
Isomeric SMILES NCc1c(O)cc(cc1C(C)(C)C)C(C)(C)C
InChI InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChI Key ZUSLEOOZAITYGH-UHFFFAOYSA-N
Guide to Malaria Pharmacology Comments
MK-4815 was identified by a phenotypic whole cell high-throughput screen of the Merck proprietary compound collection and considered to have potential as a therapy for acute P. falciparum malaria [2], although it has not progressed beyond preclinical testing due to a narrow safety window [1].

Potential Target/Mechanism Of Action: As the precise MOA of MK-4815 is not yet known, we do not have a molecular target for this compound.