Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001551
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article17 compound
IUPAC NameN-(3-bromophenyl)-1H-[1,2,3]triazolo[4,5-g]quinazolin-8-amine
FormulaC14H9BrN6
Mass341.165
Exact Mass340.007207
Composition C (49.29%), H (2.66%), Br (23.42%), N (24.63%)
Atom Count30
PI5.75
Smilesc12c(cc3c(c1)[nH]nn3)ncnc2Nc1cccc(c1)Br
InChI1S/C14H9BrN6/c15-8-2-1-3-9(4-8)18-14-10-5-12-13(20-21-19-12)6-11(10)16-7-17-14/h1-7H,(H,16,17,18)(H,
19,20,21)
InChIKeyVICIYGAOMIRRLW-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 6419347
Drug Bank Link -
ChemSpider Link 4925153
ChEMBL Link CHEMBL172652
 
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