MK-4815   Click here for help

GtoPdb Ligand ID: 10410

Synonyms: MK4815
PDB Ligand 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
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Physico-chemical Properties
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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
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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
1. Anthony MP, Burrows JN, Duparc S, Moehrle JJ, Wells TN. (2012)
The global pipeline of new medicines for the control and elimination of malaria.
Malar J, 11: 316. [PMID:22958514]
2. Powles MA, Allocco J, Yeung L, Nare B, Liberator P, Schmatz D. (2012)
MK-4815, a potential new oral agent for treatment of malaria.
Antimicrob Agents Chemother, 56 (5): 2414-9. [PMID:22314528]