TH-4000E

Ligand id: 9410

Name: TH-4000E

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 83.04
Molecular weight 460.04
XLogP 3.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug tarloxotinib
IUPAC Name
(2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enamide
Database Links
PubChem CID 51037658
Search Google for chemical match using the InChIKey QBACGOWRJDBXSG-ONEGZZNKSA-N
Search Google for chemicals with the same backbone QBACGOWRJDBXSG
Search UniChem for chemical match using the InChIKey QBACGOWRJDBXSG-ONEGZZNKSA-N
Search UniChem for chemicals with the same backbone QBACGOWRJDBXSG
Comments
TH-4000E is the active compound generated from the prodrug tarloxotinib (TH-4000).