Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000270
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3e compound
IUPAC NameN-(3-bromophenyl)-8-[3-(dimethylamino)propyl]-8H-pyrrolo[3,2-g]quinazolin-4-amine
FormulaC21H22BrN5
Mass424.337
Exact Mass423.1058584
Composition C (59.44%), H (5.23%), Br (18.83%), N (16.5%)
Atom Count49
PI12.6
SmilesN(C)(C)CCCn1c2cc3c(cc2cc1)c(ncn3)Nc1cccc(c1)Br
InChI1S/C21H22BrN5/c1-26(2)8-4-9-27-10-7-15-11-18-19(13-20(15)27)23-14-24-21(18)25-17-6-3-5-16(22)12-17/h
3,5-7,10-14H,4,8-9H2,1-2H3,(H,23,24,25)
InChIKeyKSESIAIRSPHRBJ-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
Reference9154973
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 5328288
Drug Bank Link -
ChemSpider Link 4485453
ChEMBL Link CHEMBL287289
 
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