K-252a   Click here for help

GtoPdb Ligand ID: 336

Synonyms: K252a | ST50826373 | staurosporine aglycone
Compound class: Natural product
Comment: K252a is an alkaloid isolated from Nocardiopisis soil fungi. It is an analogue of staurosporine. There is some ambiguity surrounding the exact stereochemistry of this compound, with an alternative representation being CID 3035817.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 94.72
Molecular weight 467.15
XLogP 5.34
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
Isomeric SMILES COC(=O)[C@]1(O)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
InChI InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m0/s1
InChI Key KOZFSFOOLUUIGY-IYYJOCMQSA-N

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.

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


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
ribosomal protein S6 kinase A1 Rsk1/RSK1 Hs Inhibitor Inhibition -6.0 1.0 2.0
Protein kinase G (PKG) 2 nd/PKG2(PRKG2) Hs Inhibitor Inhibition -4.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 0.1
leucine rich repeat kinase 2 nd/LRRK2 Hs Inhibitor Inhibition 0.3
mitogen-activated protein kinase kinase kinase 9 MLK1/MLK19MAP3K90 Hs Inhibitor Inhibition 0.4 1.0 0.0
misshapen like kinase 1 MINK/MINK(MINK1) Hs Inhibitor Inhibition 0.4 0.0 1.0
Janus kinase 3 JAK3/JAK3 Hs Inhibitor Inhibition 0.5 0.0 0.0
mitogen-activated protein kinase kinase kinase 11 nd/MLK3(MAP3K11) Hs Inhibitor Inhibition 0.7
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 0.8 0.0 1.0
testis specific serine kinase 1B TSSK1/STK22D(TSSK1) Hs Inhibitor Inhibition 0.8 -1.0 0.0
Displaying the top 10 targets  View all targets in screen »