TUG-905

Ligand id: 9149

Name: TUG-905

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 101.08
Molecular weight 499.18
XLogP 6.84
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{2-fluoro-4-[({3-[4-(3-methanesulfonylpropoxy)-2-methylphenyl]phenyl}methyl)amino]phenyl}propanoic acid
Synonyms
agonist 13 [PMID: 22724451]
Database Links
BindingDB Ligand 50395072
ChEMBL Ligand CHEMBL2164242
PubChem CID 60195125
Search Google for chemical match using the InChIKey ODIHLEYTPVYAPY-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ODIHLEYTPVYAPY
Search UniChem for chemical match using the InChIKey ODIHLEYTPVYAPY-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODIHLEYTPVYAPY
Comments
TUG-905 is a benzylamine agonist of the free fatty acid receptor 1 (FFA1). It is potent and selective in action [1]. The mesylpropoxy group on the molecule improves ADME properties, likely by reducing lipophilicity.