CHEBI:84327 - torin 1

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ChEBI Name torin 1
ChEBI ID CHEBI:84327
Definition A member of the class of pyridoquinolines that is 9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2-one bearing an additional 4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl substituent at position 1. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C35H28F3N5O2
Net Charge 0
Average Mass 607.62430
Monoisotopic Mass 607.21951
InChI InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3
InChIKey AKCRNFFTGXBONI-UHFFFAOYSA-N
SMILES CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing torin 1 (CHEBI:84327) has role antineoplastic agent (CHEBI:35610)
torin 1 (CHEBI:84327) has role mTOR inhibitor (CHEBI:68481)
torin 1 (CHEBI:84327) is a N-acylpiperazine (CHEBI:46844)
torin 1 (CHEBI:84327) is a N-arylpiperazine (CHEBI:46848)
torin 1 (CHEBI:84327) is a organofluorine compound (CHEBI:37143)
torin 1 (CHEBI:84327) is a pyridoquinoline (CHEBI:38921)
torin 1 (CHEBI:84327) is a quinolines (CHEBI:26513)
IUPAC Name
1-[4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
Synonym Source
torin1 ChEBI
Manual Xref Database
LSM-1079 LINCS
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Registry Number Type Source
20268275 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20860370 PubMed citation Europe PMC
24424027 PubMed citation Europe PMC
25339775 PubMed citation Europe PMC
Last Modified
06 July 2016