Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004373
Inhibitor ClassPyrimidine
Molecule Name in Refrence ArticleNVP-BKM120
IUPAC Name5-[2,6-bis(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
FormulaC18H21F3N6O2
Mass410.3935
Exact Mass410.1678086
Composition C (52.68%), H (5.16%), F (13.89%), N (20.48%), O (7.8%)
Atom Count50
PINo isoelectric point.
Smilesc1(cc(ncc1c1cc(nc(n1)N1CCOCC1)N1CCOCC1)N)C(F)(F)F
InChI1S/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
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference22065080
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesP110alpha | P110beta | P110gamma | P110delta | P110alpha H1047R | P110a E545K | P110a E542K | Protein kinases Fak | KDR | PKA | PKB | PDK1 | HER-1 | c-Met | IGF1 | Eph-B4 | FGFR3 | Ret | Tek | B-Raf V599E | c-Abl | c-Src | Jak-2 | mTOR | ALL
Pub Chem Link 16654980
Drug Bank Link -
ChemSpider Link 17588300
ChEMBL Link -
 
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