Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003480
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article19 compound
IUPAC NameN-(3-bromophenyl)-6-[(2E)-3-[2-(dimethylamino)ethyl]triaz-2-en-1-yl]quinazolin-4-amine
FormulaC18H20BrN7
Mass414.302
Exact Mass413.0963563
Composition C (52.18%), H (4.87%), Br (19.29%), N (23.67%)
Atom Count46
PI12.28
Smilesc1(c2c(ncn1)ccc(N/N=N/CCN(C)C)c2)Nc1cc(Br)ccc1
InChI1S/C18H20BrN7/c1-26(2)9-8-22-25-24-15-6-7-17-16(11-15)18(21-12-20-17)23-14-5-3-4-13(19)10-14/h3-7,10
-12H,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyUWEUAESWKIVNSU-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
Reference13678409
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 10905749
Drug Bank Link -
ChemSpider Link 9081008
ChEMBL Link CHEMBL137534
 
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