GSK-1838705A   Click here for help

GtoPdb Ligand ID: 5683

Synonyms: GSK 1838705A | GSK1838705 | GSK1838705A
Compound class: Synthetic organic
Comment: GSK-1838705A is an experimental inhibitor of the insulin receptor (INSR), insulin-like growth factor I receptor (IGF1R), and anaplastic lymphoma receptor tyrosine kinase (ALK) [2], with little inhibitory effect on other kinases.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 127.51
Molecular weight 532.23
XLogP 3.17
No. Lipinski's rules broken 0
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Canonical SMILES CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2
Isomeric SMILES CNC(=O)c1c(cccc1F)Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2c1cc[nH]2
InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34)

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
ALK receptor tyrosine kinase ALK Hs Inhibitor Inhibition 9.3 pKd
leukocyte receptor tyrosine kinase LTK Hs Inhibitor Inhibition 9.0 pKd
Insulin receptor INSR Hs Inhibitor Inhibition 8.8 pKd
Insulin-like growth factor I receptor IGF1R Hs Inhibitor Inhibition 8.1 pKd
Insulin receptor-related receptor INSRR Hs Inhibitor Inhibition 8.1 pKd
FER tyrosine kinase FER Hs Inhibitor Inhibition 8.0 pKd
myosin light chain kinase MYLK Hs Inhibitor Inhibition 8.0 pKd
c-ros oncogene 1, receptor tyrosine kinase ROS1 Hs Inhibitor Inhibition 7.8 pKd
CDC like kinase 2 CLK2 Hs Inhibitor Inhibition 7.8 pKd
CDC like kinase 1 CLK1 Hs Inhibitor Inhibition 7.7 pKd
Displaying the top 10 targets  View all targets in screen »