Flt-3 inhibitor III   

GtoPdb Ligand ID: 5972

Synonyms: IN1479
Compound class: Synthetic organic
Comment: This is compound 4 in [2]. This compound binds within the ATP pocket of the kinase.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 65.63
Molecular weight 365.16
XLogP 3.65
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1
Isomeric SMILES c1ccc(cc1)c1cnc(s1)Nc1ccc(cc1)OCCN1CCCC1
InChI InChI=1S/C21H23N3OS/c1-2-6-17(7-3-1)20-16-22-21(26-20)23-18-8-10-19(11-9-18)25-15-14-24-12-4-5-13-24/h1-3,6-11,16H,4-5,12-15H2,(H,22,23)
InChI Key FNZTULJDGIXMJJ-UHFFFAOYSA-N

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen
A screen profiling 158 kinase inhibitors (Calbiochem Protein Kinase Inhibitor Library I and II, catalogue numbers 539744 and 539745) for their inhibitory activity at 1µM and 10µM against 234 human recombinant kinases using the EMD Millipore KinaseProfilerTM service.

A screen profiling the inhibitory activity of 178 commercially available kinase inhibitors at 0.5µM against a panel of 300 recombinant protein kinases using the Reaction Biology Corporation Kinase HotspotSM platform.

http://www.millipore.com/techpublications/tech1/pf3036
http://www.reactionbiology.com/webapps/main/pages/kinase.aspx


Reference: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action % Activity remaining at 0.5µM % Activity remaining at 1µM % Activity remaining at 10µM
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 3.1 4.0 0.0
MAPK interacting serine/threonine kinase 2 Mnk2/MNK2 Hs Inhibitor Inhibition 18.6 21.0 7.0
cyclin dependent kinase 6 nd/CDK6-cyclin D3 Hs Inhibitor Inhibition 20.1
KIT proto-oncogene, receptor tyrosine kinase cKit/c-Kit Hs Inhibitor Inhibition 20.3 1.0 1.0
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 22.6
ZAK sterile alpha motif and leucine zipper containing kinase AZK nd/ZAK(MLTK) Hs Inhibitor Inhibition 25.9
platelet derived growth factor receptor beta PDGFRβ/PDGFRb Hs Inhibitor Inhibition 28.5 3.0 0.0
myosin light chain kinase 2 nd/MLCK2(MYLK2) Hs Inhibitor Inhibition 28.7
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 35.5
ABL proto-oncogene 2, non-receptor tyrosine kinase Arg/ABL2(ARG) Hs Inhibitor Inhibition 37.2 46.0 8.0
Displaying the top 10 targets  View all targets in screen »