torin 2 (CHEBI:90682)

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ChEBI Name	torin 2

ChEBI ID	CHEBI:90682

Definition	A 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.

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

Submitter	Matthias Ziehm

Supplier Information

Download	Molfile XML SDF

Formula

C24H15F3N4O

Net Charge

Average Mass

432.398

Monoisotopic Mass

432.11980

InChI

InChI=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)

InChIKey

GUXXEUUYCAYESJ-UHFFFAOYSA-N

SMILES

C1=C(C2=CC=C3C(=C2)C4=C(C=CC(N4C5=CC(=CC=C5)C(F)(F)F)=O)C=N3)C=NC(=C1)N

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.

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

ChEBI Ontology
Outgoing	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
torin2	ChEBI

Registry Number	Type	Source
20268159	Reaxys Registry Number	Reaxys

Last Modified

08 July 2016