LY 294002   Click here for help

GtoPdb Ligand ID: 6004

Synonyms: LY-294002 | LY294002 | SF 1101
PDB Ligand
Compound class: Synthetic organic
Comment: LY 294002 is a selective phosphatidylinositol 3-kinase (PI3K) inhibitor [6], with preference for PI3Kα/δ/β. LY 294002 has also been reported to interact with the unrelated BET bromodomain proteins BRD2, BRD3, and BRD4 [4].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 42.68
Molecular weight 307.12
XLogP 4.97
No. Lipinski's rules broken 0
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Canonical SMILES O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1
Isomeric SMILES O=c1cc(oc2c1cccc2c1ccccc1)N1CCOCC1
InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2

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: 1,5

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
calcium/calmodulin dependent protein kinase ID CaMKIδ/CAMK1d Hs Inhibitor Inhibition 47.9 93.0 83.0
casein kinase 2, alpha 1 polypeptide subunit CK2/CK2a Hs Inhibitor Inhibition 64.8 54.0 12.0
Pim-1 proto-oncogene, serine/threonine kinase Pim-1/PIM1 Hs Inhibitor Inhibition 66.8 47.0 20.0
polo like kinase 1 Plk1/PLK1 Hs Inhibitor Inhibition 67.1 61.0 12.0
mitogen-activated protein kinase 1 MAPK2/ERK2(MAPK1) Hs Inhibitor Inhibition 70.3 102.0 97.0
polo like kinase 3 Plk3/PLK3 Hs Inhibitor Inhibition 71.9 88.0 51.0
WEE1 G2 checkpoint kinase nd/WEE1 Hs Inhibitor Inhibition 76.4
serine/threonine kinase 39 nd/STK39(STLK3) Hs Inhibitor Inhibition 78.4
microtubule affinity regulating kinase 2 PAR-1Bα/MARK2(PAR-1Ba) Hs Inhibitor Inhibition 79.2 97.0 95.0
Raf-1 proto-oncogene, serine/threonine kinase c-RAF/RAF1 Hs Inhibitor Inhibition 82.3 68.0 69.0
Displaying the top 10 targets  View all targets in screen »