CHEBI:71958 - XL765

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ChEBI Name XL765
ChEBI ID CHEBI:71958
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C31H29N5O6S
Net Charge 0
Average Mass 599.65700
Monoisotopic Mass 599.184
InChI InChI=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)
InChIKey HJSSPYJVWLTYHG-UHFFFAOYSA-N
SMILES COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1
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): 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(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
XL 765 ChEBI
XL-765 ChEBI
Manual Xref Database
LSM-1174 LINCS
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Citations Waiting for Citations Types Sources
18959794 PubMed citation Europe PMC
18985183 PubMed citation Europe PMC
20191424 PubMed citation Europe PMC
21317208 PubMed citation Europe PMC
21678117 PubMed citation Europe PMC
22848094 PubMed citation Europe PMC
Last Modified
24 February 2016
Submitter Remark
2013-01-29 10:23:49.0 Bijay see http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=49867926