Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005185
Inhibitor ClassPteridine
Molecule Name in Refrence Article3g
IUPAC Name(2E)‐4‐(dimethylamino)‐N‐(3‐{2‐[(4‐methoxyphenyl)amino]‐7‐oxo‐7,8‐dihydropteridin‐8‐yl}phenyl)but‐2‐enamide
FormulaC25H25N7O3
Mass471.5111
Exact Mass471.201887701
Composition C (63.68%), H (5.34%), N (20.79%), O (10.18%)
Atom Count60
PI11.12
Smiles[H]N(C(=O)C([H])=C(/[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[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(OC([H])([H])[H])C([H])=C1[H]
InChI1S/C25H25N7O3/c1-31(2)13-5-8-22(33)28-18-6-4-7-19(14-18)32-23(34)16-26-21-15-27-25(30-24(21)32)29-17
-9-11-20(35-3)12-10-17/h4-12,14-16H,13H2,1-3H3,(H,28,33)(H,27,29,30)/b8-5+
InChIKeySJMNSZVROFACMM-VMPITWQZSA-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 72203136
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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