compound 1u [PMID: 30245402]

Ligand id: 10258

Name: compound 1u [PMID: 30245402]

Structure and Physico-chemical Properties

2D Structure
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].
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