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CHEBI:233980 - AD57

Default Structure
ChEBI IDCHEBI:233980
ChEBI NameAD57
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC22H20F3N7O
Net Charge0
Average Mass455.444
Monoisotopic Mass455.16814
SMILESCC(C)n1nc(-c2ccc(N/C(O)=N/c3cccc(C(F)(F)F)c3)cc2)c2c(N)ncnc21
InChIInChI=1S/C22H20F3N7O/c1-12(2)32-20-17(19(26)27-11-28-20)18(31-32)13-6-8-15(9-7-13)29-21(33)30-16-5-3-4-14(10-16)22(23,24)25/h3-12H,1-2H3,(H2,26,27,28)(H2,29,30,33)
InChIKeyLEERPLGXOHLQPF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1).
ChEBI Ontology
Outgoing Relation(s)
AD57 (CHEBI:233980) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434)
AD57 (CHEBI:233980) has role mTOR inhibitor (CHEBI:68481)
AD57 (CHEBI:233980) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
1-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
Citations