Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000675
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article5e compound
IUPAC NameN-(3-bromophenyl)-7-fluoropyrido[4,3-d]pyrimidin-4-amine
FormulaC13H8BrFN4
Mass319.132
Exact Mass317.9916371
Composition C (48.93%), H (2.53%), Br (25.04%), F (5.95%), N (17.56%)
Atom Count27
PI8.62
Smilesc12c(cc(nc1)F)ncnc2Nc1cccc(c1)Br
InChI1S/C13H8BrFN4/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(15)5-11(10)17-7-18-13/h1-7H,(H,17,18,19)
InChIKeyZSEDCGVJIAHLRN-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
Reference8627606
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328251
Drug Bank Link -
ChemSpider Link 4485416
ChEMBL Link CHEMBL51707
 
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