Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005197
Inhibitor ClassPteridine
Molecule Name in Refrence Article3t
IUPAC NameN‐[3‐(2‐{[4‐(diethylamino)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide
FormulaC25H25N7O2
Mass455.5117
Exact Mass455.206973079
Composition C (65.92%), H (5.53%), N (21.52%), O (7.02%)
Atom Count59
PI10.36
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])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H]
InChI1S/C25H25N7O2/c1-4-22(33)28-18-8-7-9-20(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17-10-12-19(
13-11-17)31(5-2)6-3/h4,7-16H,1,5-6H2,2-3H3,(H,28,33)(H,27,29,30)
InChIKeyBIUVCZQWTOSTRS-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 72202868
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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