Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005199
Inhibitor ClassPteridine
Molecule Name in Refrence Article3v
IUPAC NameN‐[3‐(2‐{[4‐(carbamoylmethyl)phenyl]amino}‐7‐oxo‐7,8‐dihydropteridin‐8‐yl)phenyl]prop‐2‐enamide
FormulaC23H19N7O3
Mass441.4421
Exact Mass441.154937509
Composition C (62.58%), H (4.34%), N (22.21%), O (10.87%)
Atom Count52
PI6.65
Smiles[H]N([H])C(=O)C([H])([H])C1=C([H])C([H])=C(N([H])C2=NC3=C(N=C([H])C(=O)N3C3=C([H])C(N([H])C(=O)C([H])=C([H])[H])=C([H])C([H])=C3[H])C([H])=N2)C([H])=C1[H]
InChI1S/C23H19N7O3/c1-2-20(32)27-16-4-3-5-17(11-16)30-21(33)13-25-18-12-26-23(29-22(18)30)28-15-8-6-14(7-
9-15)10-19(24)31/h2-9,11-13H,1,10H2,(H2,24,31)(H,27,32)(H,26,28,29)
InChIKeyRXJKLEMMSUOSDJ-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
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