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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
7-(2-morpholin-4-ylethoxy)-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)quinoline
Synonyms Click here for help
LY 2109761 | LY-2109761
Database Links Click here for help
CAS Registry No. 700874-71-1
ChEMBL Ligand CHEMBL260015
GtoPdb PubChem SID 249565755
PubChem CID 11655119
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