LY2109761   Click here for help

GtoPdb Ligand ID: 8075

Synonyms: LY 2109761 | LY-2109761
Compound class: Synthetic organic
Comment: LY2109761 is an investigational, selective inhibitor of TGFβ receptors type 1 and 2 (TGFBR1 and TGFBR2) [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 65.3
Molecular weight 441.22
XLogP 2.83
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
Isomeric SMILES O1CCN(CC1)CCOc1ccc2c(c1)nccc2c1c2CCCn2nc1c1ccccn1
InChI InChI=1S/C26H27N5O2/c1-2-9-27-22(4-1)26-25(24-5-3-11-31(24)29-26)21-8-10-28-23-18-19(6-7-20(21)23)33-17-14-30-12-15-32-16-13-30/h1-2,4,6-10,18H,3,5,11-17H2
InChI Key IHLVSLOZUHKNMQ-UHFFFAOYSA-N
Bioactivity Comments
In vitro and in vivo results suggest that inhibition of TGFBR1/2 may be a novel mechanism by which to suppress metastasis of pancreatic cancer [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
transforming growth factor beta receptor 1 Primary target of this compound Hs Inhibitor Inhibition 7.4 pKi - 1
pKi 7.4 (Ki 3.8x10-8 M) [1]
transforming growth factor beta receptor 2 Hs Inhibitor Inhibition 6.5 pKi - 1
pKi 6.5 (Ki 3x10-7 M) [1]