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CHEBI:71958 - XL765

ChEBI IDCHEBI:71958
ChEBI NameXL765
Stars
DefinitionA sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of N-(3,5-dimethoxyphenyl)quinoxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment.
Last Modified24 February 2016
SubmitterBijay
DownloadsMolfile
FormulaC31H29N5O6S
Net Charge0
Average Mass599.669
Monoisotopic Mass599.18385
SMILESCOc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1
InChIInChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36)
InChIKeyHJSSPYJVWLTYHG-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
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)
XL765 (CHEBI:71958) has role antineoplastic agent (CHEBI:35610)
XL765 (CHEBI:71958) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
XL765 (CHEBI:71958) has role mTOR inhibitor (CHEBI:68481)
XL765 (CHEBI:71958) is a aromatic amine (CHEBI:33860)
XL765 (CHEBI:71958) is a aromatic ether (CHEBI:35618)
XL765 (CHEBI:71958) is a benzamides (CHEBI:22702)
XL765 (CHEBI:71958) is a quinoxaline derivative (CHEBI:38771)
XL765 (CHEBI:71958) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide
Synonyms  Source
XL-765ChEBI
XL 765ChEBI
Manual XrefsDatabases
LSM-1174LINCS
Citations