Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004650
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article43
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-3-(3-nitrophenyl)prop-2-enamide
FormulaC23H16BrN5O3
Mass490.309
Exact Mass489.0436521
Composition C (56.34%), H (3.29%), Br (16.3%), N (14.28%), O (9.79%)
Atom Count48
PI9.12
Smilesc1c(cccc1/C=C/C(=O)Nc1ccc2c(c1)c(ncn2)Nc1cc(ccc1)Br)[N+](=O)[O-]
InChI1S/C23H16BrN5O3/c24-16-4-2-5-17(12-16)28-23-20-13-18(8-9-21(20)25-14-26-23)27-22(30)10-7-15-3-1-6-19
(11-15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b10-7+
InChIKeyUISDQRXQWZRAAA-JXMROGBWSA-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
Reference21763148
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 53484042
Drug Bank Link -
ChemSpider Link 26628596
ChEMBL Link CHEMBL1812572
 
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