Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005052
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10
IUPAC Name2‐[({4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}amino)methyl]‐4,6‐dichlorophenol
FormulaC21H15BrCl2N4O
Mass490.18
Exact Mass487.980629183
Composition C (51.46%), H (3.08%), Br (16.3%), Cl (14.47%), N (11.43%), O (3.26%)
Atom Count44
PI5.81
Smiles[H]OC1=C(C([H])=C(Cl)C([H])=C1Cl)C([H])([H])N([H])C1=C([H])C([H])=C2N=C([H])N=C(N([H])C3=C([H])C([H])=C([H])C(Br)=C3[H])C2=C1[H]
InChI1S/C21H15BrCl2N4O/c22-13-2-1-3-16(7-13)28-21-17-9-15(4-5-19(17)26-11-27-21)25-10-12-6-14(23)8-18(24)
20(12)29/h1-9,11,25,29H,10H2,(H,26,27,28)
InChIKeyZSTDSYXUZMSXGI-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
Reference23936329
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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