CHEBI:71952 - dactolisib

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ChEBI Name dactolisib
ChEBI ID CHEBI:71952
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Supplier Information
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Formula C30H23N5O
Net Charge 0
Average Mass 469.53650
Monoisotopic Mass 469.190
InChI InChI=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
InChIKey JOGKUKXHTYWRGZ-UHFFFAOYSA-N
SMILES Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Roles Classification
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 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 Sources
BEZ 235 ChemIDplus
BEZ-235 ChemIDplus
BEZ235 SUBMITTER
NVP BEZ235 ChemIDplus
NVP-BEZ 235 ChemIDplus
NVP-BEZ235 SUBMITTER
NVPBEZ235 ChemIDplus
Manual Xrefs Databases
LSM-4255 LINCS
WO2006122806 Patent
WO2008064093 Patent
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Registry Numbers Types Sources
12748665 Reaxys Registry Number Reaxys
915019-65-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
25 February 2016
Submitter Remark
2013-01-29 09:48:05.0 Bijay See http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=11977753