compound 1u [PMID: 30245402]

Ligand id: 10258

Name: compound 1u [PMID: 30245402]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 98.74
Molecular weight 451.25
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
4-[[[2-(cyclohexylamino)-2-oxoethyl]-(4-propan-2-ylbenzoyl)amino]methyl]-N-hydroxybenzamide
Comments
Compound 1u is the hit compound identified from a SAR study of peptoid-based histone deacetylase (HDAC) inhibitors for use as antimalarial agents [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
GtoPdb PubChem SID 381744940
PubChem CID 137553162
Search Google for chemical match using the InChIKey HZYLVYNCWLAIGF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HZYLVYNCWLAIGF
Search UniChem for chemical match using the InChIKey HZYLVYNCWLAIGF-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HZYLVYNCWLAIGF