Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001548
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC NameN-(3-bromophenyl)-9-chloro-3-[2-(dimethylamino)ethyl]-3H-imidazo[4,5-g]quinazolin-8-amine
FormulaC19H18BrClN6
Mass445.743
Exact Mass444.046485
Composition C (51.2%), H (4.07%), Br (17.93%), Cl (7.95%), N (18.85%)
Atom Count45
PI11.97
Smilesc12c(cc3c(c1Cl)ncn3CCN(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C19H18BrClN6/c1-26(2)6-7-27-11-24-18-15(27)9-14-16(17(18)21)19(23-10-22-14)25-13-5-3-4-12(20)8-13
/h3-5,8-11H,6-7H2,1-2H3,(H,22,23,25)
InChIKeyZPJWMBTXUODZPM-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
Reference8632415
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 5328237
Drug Bank Link -
ChemSpider Link 4485402
ChEMBL Link CHEMBL427298
 
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