fascaplysin   Click here for help

GtoPdb Ligand ID: 5969

Comment: Fascaplysin is a selective CDK4/cyclin D1 inhibitor [3]. The compound binds to the ATP pocket of the kinase.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 36.96
Molecular weight 271.09
XLogP 5.13
No. Lipinski's rules broken 1
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Canonical SMILES O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4
Isomeric SMILES O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4
InChI InChI=1S/C18H10N2O/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20/h1-10H/p+1

Large-scale screening data

EMD Millipore KinaseProfilerTM screen/Reaction Biology Kinase HotspotSM screen Click here for help
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.


Reference: 1-2

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
cyclin dependent kinase 1 CDK1-cyclin B/CDK1-cyclin B Hs Inhibitor Inhibition 53.5 112.0 107.0
cyclin dependent kinase 6 nd/CDK6-cyclin D3 Hs Inhibitor Inhibition 59.8
cyclin dependent kinase 4 nd/CDK4/cyclin D1 Hs Inhibitor Inhibition 63.4
cyclin dependent kinase 1 nd/CDK1-cyclin A Hs Inhibitor Inhibition 68.0
maternal embryonic leucine zipper kinase MELK/MELK Hs Inhibitor Inhibition 68.5 85.0 67.0
Insulin receptor IR/IR Hs Inhibitor Inhibition 69.6 84.0 93.0
leucine rich repeat kinase 2 nd/LRRK2 Hs Inhibitor Inhibition 70.1
cyclin dependent kinase 6 CDK6-cyclin D3/CDK6-cyclin D1 Hs Inhibitor Inhibition 70.1 87.0 82.0
cyclin dependent kinase 5 CDK5-p25/CDK5-p25 Hs Inhibitor Inhibition 70.3 72.0 82.0
fibroblast growth factor receptor 1 FGFR1/FGFR1 Hs Inhibitor Inhibition 71.5 100.0 78.0
Displaying the top 10 targets  View all targets in screen »