AG 112

Ligand id: 5913

Name: AG 112

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 117.62
Molecular weight 236.07
XLogP 1.06
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(3Z)-2-amino-3-[(4-hydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
Synonyms
AG-112
AG112
tyrphostin A48
tyrphostin AG 112
Database Links
CAS Registry No. 144978-82-5
ChEMBL Ligand CHEMBL76589
PubChem CID 5328804
Search Google for chemical match using the InChIKey DXVJRTIPBNBLLB-BJMVGYQFSA-N
Search Google for chemicals with the same backbone DXVJRTIPBNBLLB
Comments
AG 112 is a tyrphostin compound that acts as an inhibitor of the epidermal growth factor receptor (EGFR) tyrosine kinase. AG 112 is compound 48 in [3].