Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000754
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article51 compound
IUPAC Name4-N-(3-bromophenyl)-7-N-ethyl-6-nitroquinazoline-4,7-diamine
FormulaC16H14BrN5O2
Mass388.219
Exact Mass387.0330874
Composition C (49.5%), H (3.63%), Br (20.58%), N (18.04%), O (8.24%)
Atom Count38
PI9.87
Smilesc12c(cc(c(c1)N(=O)=O)NCC)ncnc2Nc1cccc(c1)Br
InChI1S/C16H14BrN5O2/c1-2-18-14-8-13-12(7-15(14)22(23)24)16(20-9-19-13)21-11-5-3-4-10(17)6-11/h3-9,18H,2H
2,1H3,(H,19,20,21)
InChIKeyZZVUKMBWGBBAMP-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
Reference8568816
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 -
ChEMBL Link CHEMBL93734
 
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