AST-487   Click here for help

GtoPdb Ligand ID: 5661

Synonyms: AST 487 | NVP-AST 487 | NVP-AST487 [1]
Compound class: Synthetic organic
Comment: AST-487 selectively inhibits mutant FLT3 (Fms-like tyrosine kinase-3) [3] and RET ( ret proto-oncogene) [1] receptor tyrosine kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 94.65
Molecular weight 529.24
XLogP 3.51
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC
Isomeric SMILES CCN1CCN(CC1)Cc1ccc(cc1C(F)(F)F)NC(=O)Nc1ccc(cc1)Oc1ncnc(c1)NC
InChI InChI=1S/C26H30F3N7O2/c1-3-35-10-12-36(13-11-35)16-18-4-5-20(14-22(18)26(27,28)29)34-25(37)33-19-6-8-21(9-7-19)38-24-15-23(30-2)31-17-32-24/h4-9,14-15,17H,3,10-13,16H2,1-2H3,(H,30,31,32)(H2,33,34,37)
InChI Key ODPGGGTTYSGTGO-UHFFFAOYSA-N

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
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 Value Parameter
tyrosine kinase with immunoglobulin like and EGF like domains 1 TIE1 Hs Inhibitor Inhibition 9.5 pKd
fms related receptor 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 receptor 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 receptor 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 »