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CHEBI:90682 - torin 2

ChEBI IDCHEBI:90682
ChEBI Nametorin 2
Stars
DefinitionA member of the class of pyridoquinolines that is benzo[h][1,6]naphthyridin-2-one carrying additional 3-(trifluoromethyl)phenyl and 6-aminopyridin-3-yl substituents at positions 1 and 9 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.
Last Modified8 July 2016
Submittermziehm
DownloadsMolfile
FormulaC24H15F3N4O
Net Charge0
Average Mass432.405
Monoisotopic Mass432.11980
SMILESNc1ccc(-c2ccc3ncc4ccc(=O)n(-c5cccc(C(F)(F)F)c5)c4c3c2)cn1
InChIInChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
InChIKeyGUXXEUUYCAYESJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
torin 2 (CHEBI:90682) has role antineoplastic agent (CHEBI:35610)
torin 2 (CHEBI:90682) has role mTOR inhibitor (CHEBI:68481)
torin 2 (CHEBI:90682) is a aminopyridine (CHEBI:38207)
torin 2 (CHEBI:90682) is a organofluorine compound (CHEBI:37143)
torin 2 (CHEBI:90682) is a primary amino compound (CHEBI:50994)
torin 2 (CHEBI:90682) is a pyridoquinoline (CHEBI:38921)
IUPAC Name 
9-(6-aminopyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2(1H)-one
Synonym  Source
torin2ChEBI
Manual XrefsDatabases
17GPDBeChem
LSM-1080LINCS
Registry NumbersSources
Reaxys:20268159Reaxys
Citations