dorsomorphin   Click here for help

GtoPdb Ligand ID: 4907

Synonyms: AMPK Inhibitor, Compound C
PDB Ligand
Compound class: Synthetic organic
Comment: Dorsomorphin is a potent, reversible, selective AMP-activated protein kinase (AMPK) inhibitor [4]. It is an ATP-competitive inhibitor of the catalytic α subunit of the heterotrimeric enzyme.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 55.55
Molecular weight 399.21
XLogP 3.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
Isomeric SMILES C1CCN(CC1)CCOc1ccc(cc1)c1cnc2n(c1)ncc2c1ccncc1
InChI InChI=1S/C24H25N5O/c1-2-12-28(13-3-1)14-15-30-22-6-4-19(5-7-22)21-16-26-24-23(17-27-29(24)18-21)20-8-10-25-11-9-20/h4-11,16-18H,1-3,12-15H2
InChI Key XHBVYDAKJHETMP-UHFFFAOYSA-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
fms related receptor tyrosine kinase 3 Flt3/FLT3 Hs Inhibitor Inhibition 0.2 0.0 -1.0
platelet derived growth factor receptor alpha PDGFRα/PDGFRa Hs Inhibitor Inhibition 3.7 24.0 3.0
CDC like kinase 4 nd/CLK4 Hs Inhibitor Inhibition 5.7
SRC proto-oncogene, non-receptor tyrosine kinase cSrc/c-SRC Hs Inhibitor Inhibition 5.8 75.0 9.0
maternal embryonic leucine zipper kinase MELK/MELK Hs Inhibitor Inhibition 6.6 5.0 -1.0
mitogen-activated protein kinase kinase kinase kinase 5 nd/KHS(MAP4K5) Hs Inhibitor Inhibition 7.2
neurotrophic receptor tyrosine kinase 3 nd/TRKC Hs Inhibitor Inhibition 7.7
ABL proto-oncogene 1, non-receptor tyrosine kinase Abl/ABL1 Hs Inhibitor Inhibition 7.9 4.0 -4.0
myosin light chain kinase 2 nd/MLCK2(MYLK2) Hs Inhibitor Inhibition 9.3
mitogen-activated protein kinase kinase kinase kinase 2 GCK/GCK(MAP4K2) Hs Inhibitor Inhibition 10.8 10.0 1.0
Displaying the top 10 targets  View all targets in screen »