Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002702
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article8g compound
IUPAC Name4-N-[(4-bromophenyl)methyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC14H12BrN5
Mass330.183
Exact Mass329.0276081
Composition C (50.93%), H (3.66%), Br (24.2%), N (21.21%)
Atom Count32
PI11.62
Smilesc12c(ncnc1cc(nc2)N)NCc1ccc(Br)cc1
InChI1S/C14H12BrN5/c15-10-3-1-9(2-4-10)6-18-14-11-7-17-13(16)5-12(11)19-8-20-14/h1-5,7-8H,6H2,(H2,16,17)(
H,18,19,20)
InChIKeyHZIJNNGFACBXKU-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
Reference7562908
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 5328083
Drug Bank Link -
ChemSpider Link 4485250
ChEMBL Link CHEMBL125949
 
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