Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005195
Inhibitor ClassPteridine
Molecule Name in Refrence Article3r
IUPAC NameN‐[3‐(7‐oxo‐2‐{[4‐(piperidin‐1‐yl)phenyl]amino}‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide
FormulaC26H25N7O2
Mass467.5224
Exact Mass467.206973079
Composition C (66.79%), H (5.39%), N (20.97%), O (6.84%)
Atom Count60
PI10.2
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(C([H])=C1[H])N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H]
InChI1S/C26H25N7O2/c1-2-23(34)29-19-7-6-8-21(15-19)33-24(35)17-27-22-16-28-26(31-25(22)33)30-18-9-11-20(1
2-10-18)32-13-4-3-5-14-32/h2,6-12,15-17H,1,3-5,13-14H2,(H,29,34)(H,28,30,31)
InChIKeyVJFSMDWEMFOWDK-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 72713177
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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