CHEBI:71967 - BGT226 free base

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ChEBI Name BGT226 free base
ChEBI ID CHEBI:71967
Definition An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H25F3N6O2
Net Charge 0
Average Mass 534.53230
Monoisotopic Mass 534.19911
InChI InChI=1S/C28H25F3N6O2/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36/h3-8,13-16,32H,9-12H2,1-2H3
InChIKey BMMXYEBLEBULND-UHFFFAOYSA-N
SMILES COc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(-c4ccc(N5CCNCC5)c(c4)C(F)(F)F)c3c2c1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): mTOR inhibitor
A protein kinase inhibitor of the mammalian target of rapamycin (mTOR), a protein that regulates cell growth, cell proliferation, cell motility, cell survival, protein synthesis and transcription. mTOR inhibitors are used to prevent transplant rejection and in treatment of cancer.
EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor
An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing BGT226 free base (CHEBI:71967) has role antineoplastic agent (CHEBI:35610)
BGT226 free base (CHEBI:71967) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
BGT226 free base (CHEBI:71967) has role mTOR inhibitor (CHEBI:68481)
BGT226 free base (CHEBI:71967) is a N-arylpiperazine (CHEBI:46848)
BGT226 free base (CHEBI:71967) is a aromatic ether (CHEBI:35618)
BGT226 free base (CHEBI:71967) is a imidazoquinoline (CHEBI:38776)
BGT226 free base (CHEBI:71967) is a organofluorine compound (CHEBI:37143)
BGT226 free base (CHEBI:71967) is a pyridines (CHEBI:26421)
BGT226 free base (CHEBI:71967) is conjugate base of BGT226(1+) (CHEBI:71966)
Incoming BGT226(1+) (CHEBI:71966) is conjugate acid of BGT226 free base (CHEBI:71967)
IUPAC Name
8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-(piperazin-1-yl)-3-(trifluoromethyl)phenyl]-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
Manual Xrefs Databases
LSM-6710 LINCS
WO2006122806 Patent
View more database links
Registry Number Type Source
12748765 Reaxys Registry Number Reaxys
Last Modified
06 July 2016