Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005180
Inhibitor ClassPteridine
Molecule Name in Refrence Article2f
IUPAC NameN‐(4‐{[8‐(4‐methoxyphenyl)‐7‐oxo‐7,8‐dihydropteridin‐2‐yl]amino}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
PI6.69
Smiles[H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(N([H])C2=NC3=C(N=C([H])C(=O)N3C3=C([H])C([H])=C(OC([H])([H])[H])C([H])=C3[H])C([H])=N2)C([H])=C1[H]
InChI1S/C22H18N6O3/c1-3-19(29)25-14-4-6-15(7-5-14)26-22-24-12-18-21(27-22)28(20(30)13-23-18)16-8-10-17(31
-2)11-9-16/h3-13H,1H2,2H3,(H,25,29)(H,24,26,27)
InChIKeyYRFYHYFKPSFNSZ-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 72202733
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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