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)
Selectivity at catalytic receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
transforming growth factor beta receptor 1 Primary target of this compound Hs Inhibitor Inhibition 7.6 pIC50 - 2
pIC50 7.6 (IC50 2.7x10-8 M) [2]