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CHEBI:90679 - torkinib

ChEBI IDCHEBI:90679
ChEBI Nametorkinib
Stars
DefinitionA member of the class of pyrazolopyrimidines that is 1H-pyrazolo[3,4-d]pyrimidine substituted by isopropyl, 5-hydroxyindol-2-yl and amino groups at positions 1, 3 and 4 respectively. It is a potent inhibitor of mTOR and exhibits anti-cancer properties.
Last Modified5 January 2016
Submittermziehm
DownloadsMolfile
FormulaC16H16N6O
Net Charge0
Average Mass308.345
Monoisotopic Mass308.13856
SMILESCC(C)n1nc(-c2cc3cc(O)ccc3n2)c2c(N)ncnc21
InChIInChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)
InChIKeyMFAQYJIYDMLAIM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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)
torkinib (CHEBI:90679) has role antineoplastic agent (CHEBI:35610)
torkinib (CHEBI:90679) has role mTOR inhibitor (CHEBI:68481)
torkinib (CHEBI:90679) is a aromatic amine (CHEBI:33860)
torkinib (CHEBI:90679) is a biaryl (CHEBI:64459)
torkinib (CHEBI:90679) is a hydroxyindoles (CHEBI:84729)
torkinib (CHEBI:90679) is a phenols (CHEBI:33853)
torkinib (CHEBI:90679) is a primary amino compound (CHEBI:50994)
torkinib (CHEBI:90679) is a pyrazolopyrimidine (CHEBI:38669)
IUPAC Name 
2-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
Synonyms  Source
PP242ChemIDplus
PP-242ChemIDplus
PP 242ChEBI
2-(4-Amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-olChemIDplus
Manual XrefsDatabases
P2XPDBeChem
HMDB0060607HMDB
Registry NumbersSources
Reaxys:11730137Reaxys
CAS:1092351-67-1ChemIDplus
Citations