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

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 2,4

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
tyrosine kinase with immunoglobulin like and EGF like domains 1 TIE1 Hs Inhibitor Inhibition 9.5 pKd
fms related tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 9.3 pKd
cyclin dependent kinase like 2 CDKL2 Hs Inhibitor Inhibition 9.3 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1-nonphosphorylated Hs Inhibitor Inhibition 9.2 pKd
discoidin domain receptor tyrosine kinase 1 DDR1 Hs Inhibitor Inhibition 9.2 pKd
fms related tyrosine kinase 3 FLT3(R834Q) Hs Inhibitor Inhibition 9.1 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(F317L)-nonphosphorylated Hs Inhibitor Inhibition 9.1 pKd
fms related tyrosine kinase 3 FLT3 Hs Inhibitor Inhibition 9.1 pKd
serine/threonine kinase 10 LOK Hs Inhibitor Inhibition 9.0 pKd
ABL proto-oncogene 1, non-receptor tyrosine kinase ABL1(Q252H)-nonphosphorylated Hs Inhibitor Inhibition 9.0 pKd
Displaying the top 10 targets  View all targets in screen »