Galunisertib
4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
Molecular Identity
Galunisertib
4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide
PubChem CID: 10090485
LY-2157299 is a pyrrolopyrazole that is 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole which is substituted at positions 2 and 3 by 6-methylpyridin-2-yl and 6-(aminocarbonyl)quinolin-4-yl groups, respectively. A Transforming growth factor-betaRI (TGF-betaRI) kinase inhibitor, it blocks TGF-beta-mediated tumor growth in glioblastoma. It has a role as an antineoplastic agent and a TGFbeta receptor antagonist. It is a member of methylpyridines, a member of quinolines, a monocarboxylic acid amide, a pyrrolopyrazole and an aromatic amide.
2D Structure
Properties
C22H19N5O
Molecular Formula
369.40
Molecular Weight
g/mol
369.1590
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
86.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
585
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Galunisertib700874-72-2LY2157299LY 2157299LY-21572994-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxamidegalunisertibum3OKH1W5LZE4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamideDTXSID00220362CHEBI:1370646-Quinolinecarboxamide, 4-(5,6-dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo(1,2-b)pyrazol-3-yl)-4-(2-(6-METHYLPYRIDIN-2-YL)-5,6-DIHYDRO-4H-PYRROLO(1,2-B)PYRAZOL-3-YL)QUINOLINE-6-CARBOXAMIDE4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo(2,1-e)pyrazol-3-yl)quinoline-6-carboxamide4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide
Data from PubChem (NCBI)
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