TGF-beta RI inhibitor III   Click here for help

GtoPdb Ligand ID: 6049

Synonyms: SB-505124 | SB505124
Compound class: Synthetic organic
Comment: This is compound 1 (SB-505124) in [3]. It is a selective inhibitor of TGF-βRI, ALK4 and ALK7.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 60.03
Molecular weight 335.16
XLogP 3.8
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C
Isomeric SMILES Cc1cccc(n1)c1[nH]c(nc1c1ccc2c(c1)OCO2)C(C)(C)C
InChI InChI=1S/C20H21N3O2/c1-12-6-5-7-14(21-12)18-17(22-19(23-18)20(2,3)4)13-8-9-15-16(10-13)25-11-24-15/h5-10H,11H2,1-4H3,(H,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
activin A receptor type 1B nd/ALK4(ACVR1B) Hs Inhibitor Inhibition 31.0 1.0 -6.0
transforming growth factor beta receptor 1 TGFBR1/ALK5(TGFBR1) Hs Inhibitor Inhibition 35.8 10.0 0.0
casein kinase 1 delta CK1δ/CK1d Hs Inhibitor Inhibition 63.4 69.0 33.0
casein kinase 1 epsilon nd/CK1epsilon Hs Inhibitor Inhibition 71.5
p21 (RAC1) activated kinase 2 PAK2/PAK2 Hs Inhibitor Inhibition 72.4 103.0 91.0
fibroblast growth factor receptor 4 FGFR4/FGFR4 Hs Inhibitor Inhibition 73.8 116.0 112.0
microtubule affinity regulating kinase 3 nd/MARK3 Hs Inhibitor Inhibition 73.9
Protein kinase G (PKG) 1 PKG1α/PKG1a Hs Inhibitor Inhibition 74.6 113.0 110.0
unc-51 like autophagy activating kinase 2 ULK2/ULK2 Hs Inhibitor Inhibition 75.4 111.0 94.0
p21 (RAC1) activated kinase 4 PAK4/PAK4 Hs Inhibitor Inhibition 77.5 97.0 88.0
Displaying the top 10 targets  View all targets in screen »