Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005062
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article20
IUPAC Name3,5‐dibromo‐N‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐2‐hydroxybenzamide
FormulaC21H13Br3N4O2
Mass593.066
Exact Mass589.858863621
Composition C (42.53%), H (2.21%), Br (40.42%), N (9.45%), O (5.4%)
Atom Count43
PI5.05
Smiles[H]OC1=C(C([H])=C(Br)C([H])=C1Br)C(=O)N([H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Br)=C([H])C([H])=C2[H])C([H])=C1[H]
InChI1S/C21H13Br3N4O2/c22-11-2-1-3-13(6-11)27-20-15-9-14(4-5-18(15)25-10-26-20)28-21(30)16-7-12(23)8-17(2
4)19(16)29/h1-10,29H,(H,28,30)(H,25,26,27)
InChIKeyMMTRWQYIYUAJFF-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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