TG02

Ligand id: 9095

Name: TG02

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 50.28
Molecular weight 372.2
XLogP 4.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
In a kinase profiling study TG02 was found to inhibit 17 of the 63 kinases tested [1]. Eleven of the 17 positive hits were against CDK/JAK/FLT family members. Some of the other kinases inhibited by TG02 are implicated in inflammatory and proliferative processes (e.g. Lck, Fyn, Fms (CSF1R), TYRO3, ERK5, and p38δ). TG02 most potently inhibited CDK isoforms (IC50s 3-9 nM for CDKs 1,2,3,5 and 9 and IC50 of 37 nM for CDK7). CDK6 was less potently inhibited (IC50 113 nM). CDK4 was not significantly inhibited. The Janus kinase family members JAK1, JAK2 and TYK2 were potently inhibited but JAK3 was not. Class III receptor tyrosine kinases Fms and Fms-like tyrosine kinase 3 (FLT3) were potently inhibited, as were the src family kinases Lck and Fyn (but not Src itself), and the MAPK family members ERK5 and p38δ.
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 9 Hs Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3x10-9 M) [1]
cyclin dependent kinase 5 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
cyclin dependent kinase 3 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]
cyclin dependent kinase 2 Hs Inhibitor Inhibition 7.9 – 8.3 pIC50 - 1,5
pIC50 7.9 – 8.3 (IC50 1.3x10-8 – 5x10-9 M) [1,5]
cyclin dependent kinase 1 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 9x10-9 M) [1]
tyrosine kinase 2 Hs Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.4x10-8 M) [1]
Janus kinase 2 Hs Inhibitor Inhibition 7.1 – 7.7 pIC50 - 1,5
pIC50 7.1 – 7.7 (IC50 7.3x10-8 – 1.9x10-8 M) [1,5]
Janus kinase 1 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 5.9x10-8 M) [1]
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
colony stimulating factor 1 receptor Hs Inhibitor Inhibition 7.6 pIC50 - 1
pIC50 7.6 (IC50 2.7x10-8 M) [1]
fms related receptor tyrosine kinase 3 Hs Inhibitor Inhibition 7.3 – 7.7 pIC50 - 1,5
pIC50 7.3 – 7.7 (IC50 5.6x10-8 – 1.9x10-8 M) [1,5]