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CHEBI:71952 - dactolisib

ChEBI IDCHEBI:71952
ChEBI Namedactolisib
Stars
DefinitionAn imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a quinolin-3-yl group. A dual PI3K/mTOR inhibitor used in cancer treatment.
Last Modified25 February 2016
SubmitterBijay
DownloadsMolfile
FormulaC30H23N5O
Net Charge0
Average Mass469.548
Monoisotopic Mass469.19026
SMILESCn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4cnc5ccccc5c4)ccc3ncc21
InChIInChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3
InChIKeyJOGKUKXHTYWRGZ-UHFFFAOYSA-N
Roles Classification
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)
dactolisib (CHEBI:71952) has role antineoplastic agent (CHEBI:35610)
dactolisib (CHEBI:71952) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
dactolisib (CHEBI:71952) has role mTOR inhibitor (CHEBI:68481)
dactolisib (CHEBI:71952) is a imidazoquinoline (CHEBI:38776)
dactolisib (CHEBI:71952) is a nitrile (CHEBI:18379)
dactolisib (CHEBI:71952) is a quinolines (CHEBI:26513)
dactolisib (CHEBI:71952) is a ring assembly (CHEBI:36820)
dactolisib (CHEBI:71952) is a ureas (CHEBI:47857)
IUPAC Name 
2-methyl-2-{4-[3-methyl-2-oxo-8-(quinolin-3-yl)-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl]phenyl}propanenitrile
Synonyms  Source
NVP-BEZ235SUBMITTER
BEZ235SUBMITTER
BEZ 235ChemIDplus
NVPBEZ235ChemIDplus
NVP BEZ235ChemIDplus
NVP-BEZ 235ChemIDplus
Manual XrefsDatabases
WO2008064093Patent
WO2006122806Patent
LSM-4255LINCS
Registry NumbersSources
Reaxys:12748665Reaxys
CAS:915019-65-7ChemIDplus
Citations