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 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 106.24
Molecular weight 423.17
XLogP 3.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3-piperidin-4-yloxy-1-benzothiophen-2-yl)-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3,4-oxadiazole
Database Links
PubChem CID 72183475
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
Comments
N-Myristoyltransferase (NMT) is an essential eukaryotic enzyme and an attractive drug target in parasitic infections such as malaria. 34c is a high affinity inhibitor of both Plasmodium falciparum and P. vivax NMT and displays activity in vivo against a rodent malaria model [2]. The compound is example 118 in [1] that includes assay data for 138 structures. There is a PDB structure 2YNE of this compound in the P. vivax enzyme.