compound 5 [PMID: 30894487]

Ligand id: 10398

Name: compound 5 [PMID: 30894487]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 79.54
Molecular weight 355.1
XLogP 3.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxochromene-2-carboxamide
Comments
Compound 5 is the lead identified from a target-based approach to develop new compounds with antimalarial activity [1].

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
ChEMBL Ligand CHEMBL3989220
GtoPdb PubChem SID 384403677
PubChem CID 134158252
RCSB PDB Ligand FYB
Search Google for chemical match using the InChIKey PJBRCGHQNUWERQ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PJBRCGHQNUWERQ
Search UniChem for chemical match using the InChIKey PJBRCGHQNUWERQ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PJBRCGHQNUWERQ