Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005182
Inhibitor ClassPteridine
Molecule Name in Refrence Article3b
IUPAC NameN‐(3‐{2‐[(4‐methoxyphenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)prop‐2‐enamide
FormulaC22H18N6O3
Mass414.4167
Exact Mass414.144038472
Composition C (63.76%), H (4.38%), N (20.28%), O (11.58%)
Atom Count49
PI6.88
Smiles[H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C([H])C(=C1[H])N1C(=O)C([H])=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C([H])=C1[H]
InChI1S/C19H16N6O2/c1-27-15-8-4-13(5-9-15)23-19-22-10-16-18(24-19)25(17(26)11-21-16)14-6-2-12(20)3-7-14/h
2-11H,20H2,1H3,(H,22,23,24)
InChIKeyHJHJLSAFDLUSPN-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
Reference24053674
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 72712977
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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