Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005067
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article25
IUPAC Name5‐bromo‐N‐{4‐[(3‐chlorophenyl)amino]quinazolin‐6‐yl}‐2‐hydroxybenzamide
FormulaC21H14BrClN4O2
Mass469.718
Exact Mass467.998866066
Composition C (53.7%), H (3%), Br (17.01%), Cl (7.55%), N (11.93%), O (6.81%)
Atom Count43
PI5.72
Smiles[H]OC1=C(C([H])=C(Br)C([H])=C1[H])C(=O)N([H])C1=C([H])C2=C(N=C([H])N=C2N([H])C2=C([H])C(Cl)=C([H])C([H])=C2[H])C([H])=C1[H]
InChI1S/C21H14BrClN4O2/c22-12-4-7-19(28)17(8-12)21(29)27-15-5-6-18-16(10-15)20(25-11-24-18)26-14-3-1-2-13
(23)9-14/h1-11,28H,(H,27,29)(H,24,25,26)
InChIKeyPOVAFMGFDWVKTR-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 29395807
ChEMBL Link CHEMBL2316144
 
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