galunisertib   Click here for help

GtoPdb Ligand ID: 7797

Synonyms: inhibitor 15d [PMID: 18314943] | LY-2157299 | LY2157299
Compound class: Synthetic organic
Comment: Galunisertib is a first-in-class investigational inhibitor of the receptor tyrosine kinase, growth factor-β receptor type I (TGFβRI) [1-2]. It is being evaluated as a novel anticancer agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 86.69
Molecular weight 369.16
XLogP 2.67
No. Lipinski's rules broken 0
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Canonical SMILES Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2
Isomeric SMILES Cc1cccc(n1)c1nn2c(c1c1ccnc3c1cc(cc3)C(=O)N)CCC2
InChI InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)
Bioactivity Comments
A full list of kinases that are inhibited by galunisertib in vitro (using the DiscoverX KINOMEscan platform) is available in Li et al., 2008 [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
activin A receptor type 1B Hs Inhibitor Inhibition 7.1 pIC50 - 2
pIC50 7.1 (IC50 7.8x10-8 M) [2]
Description: Value determined usinfg the DiscoverX KINOMEscan platform.
transforming growth factor beta receptor 1 Primary target of this compound Hs Inhibitor Inhibition 6.8 – 7.3 pIC50 - 2
pIC50 7.3 (IC50 5.6x10-8 M)
Description: Inhibition of a 6×-HIS tagged cytoplasmic kinase domain representing TGFβR1
pIC50 6.8 (IC50 1.72x10-7 M) [2]
Description: Result from a DiscoverX KINOMEscan platform kinase activity assay.
transforming growth factor beta receptor 2 Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.08x10-7 M) [2]
Description: Value determined usinfg the DiscoverX KINOMEscan platform.
bone morphogenetic protein receptor type IB Hs Inhibitor Inhibition 6.3 pIC50 - 2
pIC50 6.3 (IC50 4.71x10-7 M) [2]
Description: Value determined usinfg the DiscoverX KINOMEscan platform.