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CHEBI:71954 - BKM120

Default Structure
ChEBI IDCHEBI:71954
ChEBI NameBKM120
Stars
DefinitionAn aminopyridine that is 4-(trifluoromethyl)pyridin-2-amine substituted at position 5 by a 2,6-di(morpholin-4-yl)pyrimidin-4-y group. A selective PI3K inhibitor with anti-tumour properties.
Last Modified15 July 2016
SubmitterBijay
DownloadsMolfile
FormulaC18H21F3N6O2
Net Charge0
Average Mass410.400
Monoisotopic Mass410.16781
SMILESNc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)
InChIKeyCWHUFRVAEUJCEF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifibrotic agent  Any agent which acts to reduce fibrosis.
renoprotective agent  Any compound that is able to prevent damage to the kidneys.
ChEBI Ontology
Outgoing Relation(s)
BKM120 (CHEBI:71954) has role antifibrotic agent (CHEBI:233423)
BKM120 (CHEBI:71954) has role antineoplastic agent (CHEBI:35610)
BKM120 (CHEBI:71954) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914)
BKM120 (CHEBI:71954) has role renoprotective agent (CHEBI:231911)
BKM120 (CHEBI:71954) is a aminopyridine (CHEBI:38207)
BKM120 (CHEBI:71954) is a aminopyrimidine (CHEBI:38338)
BKM120 (CHEBI:71954) is a morpholines (CHEBI:38785)
BKM120 (CHEBI:71954) is a organofluorine compound (CHEBI:37143)
IUPAC Name 
5-[2,6-di(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
INN  Source
buparlisibWHO MedNet
Synonyms  Source
BKM 120ChemIDplus
BKM-120ChEMBL
BKM-120NXChEMBL
BKM120-NXChEMBL
buparlisibChEMBL
NVP-BKM-120ChEMBL
Manual XrefsDatabases
LSM-1148LINCS
WO2007084786Patent
WO2012044727Patent
WO2012109423Patent
Registry NumbersSources
Reaxys:12938097Reaxys
CAS:1202777-78-3ChemIDplus
Citations