Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005069
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article27
IUPAC NameN‐{4‐[(3‐bromophenyl)amino]quinazolin‐6‐yl}‐4‐chlorobenzamide
FormulaC21H14BrClN4O
Mass453.719
Exact Mass452.003951444
Composition C (55.59%), H (3.11%), Br (17.61%), Cl (7.81%), N (12.35%), O (3.53%)
Atom Count42
PI8.39
Smiles[H]N(C(=O)C1=C([H])C([H])=C(Cl)C([H])=C1[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/C21H14BrClN4O/c22-14-2-1-3-16(10-14)26-20-18-11-17(8-9-19(18)24-12-25-20)27-21(28)13-4-6-15(23)7-
5-13/h1-12H,(H,27,28)(H,24,25,26)
InChIKeyAWYHTSHMPIFPGH-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
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 29397961
ChEMBL Link CHEMBL2316146
 
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