TAK-715

Ligand id: 9328

Name: TAK-715

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 83.12
Molecular weight 399.14
XLogP 7.94
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
Synonyms
compound 8h [PMID: 16162000] | TAK 715 | TAK0715
Database Links
BindingDB Ligand 50173609
CAS Registry No. 303162-79-0 (source: PubChem)
ChEMBL Ligand CHEMBL363648
PubChem CID 9952773
RCSB PDB Ligand T75
Search Google for chemical match using the InChIKey HEKAIDKUDLCBRU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HEKAIDKUDLCBRU
Search UniChem for chemical match using the InChIKey HEKAIDKUDLCBRU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HEKAIDKUDLCBRU
SynPHARM 83879 (in complex with mitogen-activated protein kinase 14)
Comments
TAK-715 was developed as a p38 MAP kinase inhibitor, with anti-TNFα activity of potential clinical use as an anti-rheumatoid arthritis (RA) agent [1]. TAK-715 is now available for repurposing via the MRC-Industry Asset Sharing Initiative 2016 (full compound list).