PP1 analog II   Click here for help

GtoPdb Ligand ID: 6028

Synonyms: 1-naphthyl PP1 | AC1NP9I6 | mutant kinases inhibitor II | NM-PP1
PDB Ligand
Compound class: Synthetic organic
Comment: This compound is a potent inhibitor of several mutant kinase enzymes [3]. Also inhibits Src family kinases and c-Abl.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 69.62
Molecular weight 331.18
XLogP 4.58
No. Lipinski's rules broken 0
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Canonical SMILES Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C
Isomeric SMILES Nc1ncnc2c1c(Cc1cccc3c1cccc3)nn2C(C)(C)C
InChI InChI=1S/C20H21N5/c1-20(2,3)25-19-17(18(21)22-12-23-19)16(24-25)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-10,12H,11H2,1-3H3,(H2,21,22,23)

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
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 1.5
tyrosine kinase non receptor 2 ACK1/ACK1 Hs Inhibitor Inhibition 2.4 6.0 2.0
EPH receptor A6 nd/EPHA6 Hs Inhibitor Inhibition 9.4
YES proto-oncogene 1, Src family tyrosine kinase Tes/YES(YES1) Hs Inhibitor Inhibition 18.6 5.0 0.0
protein tyrosine kinase 6 BRK/BRK Hs Inhibitor Inhibition 19.2 5.0 -1.0
protein kinase D3 nd/PKCnu(PRKD3) Hs Inhibitor Inhibition 20.9
BMX non-receptor tyrosine kinase Bmx/BMX(ETK) Hs Inhibitor Inhibition 25.2 8.0 1.0
ret proto-oncogene Ret/RET Hs Inhibitor Inhibition 25.5 11.0 1.0
protein kinase D1 PKCμ/PKCmu(PRKD1) Hs Inhibitor Inhibition 26.2 22.0 9.0
TXK tyrosine kinase Txk/TXK Hs Inhibitor Inhibition 28.6 43.0 7.0
Displaying the top 10 targets  View all targets in screen »