TGF-beta RI kinase inhibitor   Click here for help

GtoPdb Ligand ID: 6050

Synonyms: LY 364947 | LY-364947 | TbetaR-I inhibitor
PDB Ligand
Compound class: Synthetic organic
Comment: Selective inhibitor of TGF-βRI
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 54.46
Molecular weight 272.11
XLogP 3.54
No. Lipinski's rules broken 0
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Canonical SMILES c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2
Isomeric SMILES c1ccc(nc1)c1[nH]ncc1c1ccnc2c1cccc2
InChI InChI=1S/C17H12N4/c1-2-6-15-13(5-1)12(8-10-19-15)14-11-20-21-17(14)16-7-3-4-9-18-16/h1-11H,(H,20,21)

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: 1,3

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
transforming growth factor beta receptor 1 TGFBR1/ALK5(TGFBR1) Hs Inhibitor Inhibition 41.6 6.0 0.0
activin A receptor type 1B nd/ALK4(ACVR1B) Hs Inhibitor Inhibition 43.2 -3.0 -4.0
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 44.2 25.0 2.0
mitogen-activated protein kinase kinase kinase kinase 4 nd/HGK(MAP4K4) Hs Inhibitor Inhibition 48.3
WNK lysine deficient protein kinase 2 WNK2/WNK2 Hs Inhibitor Inhibition 49.2 105.0 88.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 53.9
protein kinase D3 nd/PKCnu(PRKD3) Hs Inhibitor Inhibition 56.1
p21 (RAC1) activated kinase 2 PAK2/PAK2 Hs Inhibitor Inhibition 57.0 107.0 88.0
protein kinase D1 PKCμ/PKCmu(PRKD1) Hs Inhibitor Inhibition 63.0 65.0 22.0
receptor interacting serine/threonine kinase 2 RIPK2/RIPK2 Hs Inhibitor Inhibition 64.7 29.0 16.0
Displaying the top 10 targets  View all targets in screen »