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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
AST-487 induces cell-cycle arrest and apoptosis of leukemic cells harbouring mutant FLT3 but has no effect on wild-type FLT3 expressing cells [3]. The compound also inhibits growth of human thyroid cancer cell lines with activating mutations of RET, an in vitro model of medullary thyroid cancers (MTC) [1].
Selectivity at human catalytic receptors
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
fms related tyrosine kinase 3 Inhibitor Inhibition 9.1 pKd - 2
pKd 9.1 (Kd 7.9x10-10 M) [2]
fms related tyrosine kinase 3 Inhibitor Inhibition 6.9 pKi - 3
pKi 6.9 (Ki 1.2x10-7 M) [3]
Description: Inhibition of wild type FLT3
kinase insert domain receptor Inhibitor Inhibition 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.7x10-7 M) [1]
Description: In vitro inhibition of KDR.
KIT proto-oncogene receptor tyrosine kinase Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5x10-7 M) [1]
Description: In vitro inhibition of c-Kit
fms related tyrosine kinase 3 Inhibitor Inhibition 6.3 pIC50 - 1
pIC50 6.3 (IC50 5.2x10-7 M) [1]
ret proto-oncogene Inhibitor Inhibition 6.1 pIC50 - 1
pIC50 6.1 (IC50 8.8x10-7 M) [1]
Description: In vitro inhibition of wild type RET.