Compound: Galunisertib
SMILES: O=C(N)c1cc2c(nccc2-c3c(nn4c3CCC4)-c5nc(ccc5)C)cc1
InChIKey: IVRXNBXKWIJUQB-UHFFFAOYSA-N
Synonyms: Galunisertib, 700874-72-2, LY2157299, LY 2157299, LY-2157299, 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxamide, galunisertibum, 3OKH1W5LZE, 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide, DTXSID00220362, CHEBI:137064, 6-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-CARBOXAMIDE, 4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo(2,1-e)pyrazol-3-yl)quinoline-6-carboxamide, 4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl]quinoline-6-carboxamide, RefChem:142227, DTXCID00142853, UNII-3OKH1W5LZE, ly2157299(galunisertib), Galunisertib (LY2157299), MFCD12923319, 4-(2-(6-Methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo-[1,2-b]pyrazol-3-yl)quinoline-6-carboxamide, Galunisertib [USAN], Galunisertib [USAN:INN], LY2157299; 4-(2-(6-Methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-6-carboxamide; 4-[5,6-Dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-quinolinecarboxamide, 4-[5,6-Dihydro-2-(6-methyl-2-pyridinyl)-4H-pyrrolo[1,2-b]pyrazol-3-yl]-6-quinolinecarboxamide, Galunisertib (USAN/INN), GALUNISERTIB [INN], 4-[2-(6-methylpyridin-2-yl)-4H,5H,6H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide, 4-(2-(6-Methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo(1,2-b)pyrazol-3-yl)quinoline-6-carboxylic acid amide, GALUNISERTIB [WHO-DD], GTPL7797, LY2157299(Galunisertib)?, orb1305376, CHEMBL2364611, SCHEMBL12922153, SCHEMBL29362145, EX-A009, GLXC-90145, HMS3655D14, BDBM50015640, NSC761216, NSC800103, s2230, AKOS022175280, CCG-264950, CS-0474, DB11911, EX-8675, FM43366, NSC-761216, NSC-800103, SB16483, NCGC00384167-07, AC-31327, AS-42940, HY-13226, inhibitor 15d [PMID: 18314943], NS00069665, SW219460-1, D10437, BRD-K78118466-001-03-3, Q27077768, 2-(6-Methyl-Pyridin-2-Yl)-3-[6-Amido-Quinolin-4-Yl)-5,6-Dihydro-4H-Pyrrolo[1,2-B]Pyrazole, 4-[2-(6-methyl-2-pyridyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide, 4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-quinoline-6-carboxylic acid amide, 6-QUINOLINECARBOXAMIDE, 4-(5,6-DIHYDRO-2-(6-METHYL-2-PYRIDINYL)-4H-PYRROLO(1,2-B)PYRAZOL-3-YL)-)
Theoretical properties:
molecular_formula: C22H19N5O
molecular_weight: 369.4 g/mol
exact_mass: 369.15896025 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 3
heavy_atom_count: 28
topological_polar_surface_area: 86.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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.
chebi: A pyrrolopyrazole that is 5,6-dihydro-4<em>H</em>-pyrrolo[1,2-<em>b</em>]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-βRI (TGF-βRI) kinase inhibitor, it blocks TGF-β-mediated tumor growth in glioblastoma.
chembl: GALUNISERTIB is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Galunisertib (LY2157299) is a small molecular experimental cancer drug previously in development by Eli Lilly. It is a TGF-b inhibitor. Development of galunisertib by Eli Lilly was discontinued in January 2020.
Galunisertib was investigated in a phase II trial for treatment of hepatocellular carcinoma. Pre-clinically, combination of galunisertib with PD-L1 blockade resulted in improved tumor growth inhibition.