Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005191
Inhibitor ClassPteridine
Molecule Name in Refrence Article3n
IUPAC NameN‐[4‐(2‐{[4‐(morpholin‐4‐yl)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide
FormulaC25H23N7O3
Mass469.4952
Exact Mass469.186237637
Composition C (63.96%), H (4.94%), N (20.88%), O (10.22%)
Atom Count58
PI8.19
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(C([H])=C1[H])N1C([H])([H])C([H])([H])OC([H])([H])C1([H])[H]
InChI1S/C25H23N7O3/c1-2-22(33)28-17-5-9-20(10-6-17)32-23(34)16-26-21-15-27-25(30-24(21)32)29-18-3-7-19(8-
4-18)31-11-13-35-14-12-31/h2-10,15-16H,1,11-14H2,(H,28,33)(H,27,29,30)
InChIKeyCHFSRPYBDAIBQR-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 72713176
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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