NVP-TAE 226

Ligand id: 9382

Name: NVP-TAE 226

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 100.64
Molecular weight 468.17
XLogP 3.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[5-chloro-2-[(2-methoxy-4-morpholin-4-ylphenyl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide
Synonyms
NVP-TAE226 [1] | TAE226 [2]
Database Links
BindingDB Ligand 50334594
ChEMBL Ligand CHEMBL458997
PubChem CID 9934347
RCSB PDB Ligand BI9
Search Google for chemical match using the InChIKey UYJNQQDJUOUFQJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UYJNQQDJUOUFQJ
Search UniChem for chemical match using the InChIKey UYJNQQDJUOUFQJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UYJNQQDJUOUFQJ
Comments
NVP-TAE 226 is an experimental, non-selective, ATP-competitive inhibitor of FAK (focal adhesion kinase; official name protein tyrosine kinase 2) [2]. NVP-TAE 226 is not a selective compound and inhibits many other kinases in in vitro assays. An extended kinase selectivity profile for NVP-TAE 226 is provided in [1].