MK-4815   

GtoPdb Ligand ID: 10410

Synonyms: MK4815
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
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
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
Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-(aminomethyl)-3,5-ditert-butylphenol
Synonyms
MK4815
Database Links
CAS Registry No. 84210-35-5 (source: Scifinder)
ChEMBL Ligand CHEMBL1191888
GtoPdb PubChem SID 385612171
PubChem CID 10354063
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