Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005189
Inhibitor ClassPteridine
Molecule Name in Refrence Article3l
IUPAC NameN‐(4‐{2‐[(4‐chlorophenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)prop‐2‐enamide
FormulaC21H15ClN6O2
Mass418.836
Exact Mass418.094501461
Composition C (60.22%), H (3.61%), Cl (8.46%), N (20.07%), O (7.64%)
Atom Count45
PI6.57
Smiles[H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(C([H])=C1[H])N1C(=O)C([H])=NC2=C1N=C(N=C2[H])N([H])C1=C([H])C([H])=C(Cl)C([H])=C1[H]
InChI1S/C21H15ClN6O2/c1-2-18(29)25-14-7-9-16(10-8-14)28-19(30)12-23-17-11-24-21(27-20(17)28)26-15-5-3-13(
22)4-6-15/h2-12H,1H2,(H,25,29)(H,24,26,27)
InChIKeyYQVNLEYHEXIBNV-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 72713175
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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