LY-2157299 (CHEBI:137064)

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ChEBI Name	LY-2157299

ChEBI ID	CHEBI:137064

Definition	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-βRI (TGF-βRI) kinase inhibitor, it blocks TGF-β-mediated tumor growth in glioblastoma.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Sabrina Toro

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Formula

C22H19N5O

Net Charge

Average Mass

369.420

Monoisotopic Mass

369.15896

InChI

InChI=1S/C22H19N5O/c1-13-4-2-5-18(25-13)21-20(19-6-3-11-27(19)26-21)15-9-10-24-17-8-7-14(22(23)28)12-16(15)17/h2,4-5,7-10,12H,3,6,11H2,1H3,(H2,23,28)

InChIKey

IVRXNBXKWIJUQB-UHFFFAOYSA-N

SMILES

C12=C(C=CN=C1C=CC(=C2)C(N)=O)C=3C(=NN4C3CCC4)C=5N=C(C=CC5)C

Roles Classification
Biological Role(s):	TGFbeta receptor antagonist An antagonist that binds to and deactivates TGFbeta receptors.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	LY-2157299 (CHEBI:137064) has role antineoplastic agent (CHEBI:35610) LY-2157299 (CHEBI:137064) has role TGFβ receptor antagonist (CHEBI:91202) LY-2157299 (CHEBI:137064) is a aromatic amide (CHEBI:62733) LY-2157299 (CHEBI:137064) is a methylpyridines (CHEBI:25340) LY-2157299 (CHEBI:137064) is a monocarboxylic acid amide (CHEBI:29347) LY-2157299 (CHEBI:137064) is a pyrrolopyrazole (CHEBI:46866) LY-2157299 (CHEBI:137064) is a quinolines (CHEBI:26513)

IUPAC Name

4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline-6-carboxamide

Last Modified

01 June 2017