Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005177
Inhibitor ClassPteridine
Molecule Name in Refrence Article2c
IUPAC Name2‐[(3‐aminophenyl)amino]‐8‐(4‐methoxyphenyl)‐7,8‐dihydropteridin‐7‐one
FormulaC19H16N6O2
Mass360.3693
Exact Mass360.133473786
Composition C (63.32%), H (4.48%), N (23.32%), O (8.88%)
Atom Count43
PI8.77
Smiles[H]N([H])C1=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])C([H])=C1[H]
InChI1S/C19H16N6O2/c1-27-15-7-5-14(6-8-15)25-17(26)11-21-16-10-22-19(24-18(16)25)23-13-4-2-3-12(20)9-13/h
2-11H,20H2,1H3,(H,22,23,24)
InChIKeyFZEFYHUOKWGELA-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 72712979
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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