TAM16

Ligand id: 9645

Name: TAM16

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 85.94
Molecular weight 380.17
XLogP 2.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxamide
Database Links
PubChem CID 122644519
Search Google for chemical match using the InChIKey PQGCMFVNJWTUFH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PQGCMFVNJWTUFH
Search UniChem for chemical match using the InChIKey PQGCMFVNJWTUFH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PQGCMFVNJWTUFH
Comments
TAM16 is a benzofuran inhibitor of MTB Pks13 with potent in vitro bactericidal activity against drug-susceptible and drug-resistant clinical isolates of M. tuberculosis. In multiple mouse infection models it showed in vivo efficacy equal to the first-line TB drug isoniazid [1]. There is PDB structure 5V3Y and the compound is example 32 in [2]. Analogues are exemplified with activity data (with some gaps).