compound 34c [PMID: 24641010]

Ligand id: 9647

Name: compound 34c [PMID: 24641010]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.24
Molecular weight 423.17
XLogP 4.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Ligand families/groups Antimalarial ligands
IUPAC Name
2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
Comments
Compound 34c is from a series of benzo[b]thiophhene inhibitors with antimalarial activity.

The Malaria tab on this ligand page provides additional curator comments of relevance to the Guide to MALARIA PHARMACOLOGY.
Database Links
ChEMBL Ligand CHEMBL3237438
GtoPdb PubChem SID 340590277
PubChem CID 72183475
RCSB PDB Ligand YNE
Search Google for chemical match using the InChIKey XZORQADPEUSNQJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XZORQADPEUSNQJ
Search UniChem for chemical match using the InChIKey XZORQADPEUSNQJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XZORQADPEUSNQJ