AST-487

Ligand id: 5661

Name: AST-487

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 94.65
Molecular weight 529.24
XLogP 4.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-{4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-1-(4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)urea
Synonyms
AST 487 | NVP-AST 487 | NVP-AST487 [1]
Database Links
CAS Registry No. 630124-46-8
ChEMBL Ligand CHEMBL574738
PubChem CID 11409972
Search Google for chemical match using the InChIKey ODPGGGTTYSGTGO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ODPGGGTTYSGTGO
Search UniChem for chemical match using the InChIKey ODPGGGTTYSGTGO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ODPGGGTTYSGTGO
Comments
AST-487 selectively inhibits mutant FLT3 (Fms-like tyrosine kinase-3) [3] and RET ( ret proto-oncogene) [1] receptor tyrosine kinases.