Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000945
Inhibitor ClassBenzo-triazine
Molecule Name in Refrence Article25 compound
IUPAC NameN-(3-bromophenyl)-1,2,3-benzotriazin-4-amine
FormulaC13H9BrN4
Mass301.141
Exact Mass300.001059
Composition C (51.85%), H (3.01%), Br (26.53%), N (18.6%)
Atom Count27
PI7.03
Smilesc12c(cccc1)nnnc2Nc1cccc(c1)Br
InChI1S/C13H9BrN4/c14-9-4-3-5-10(8-9)15-13-11-6-1-2-7-12(11)16-18-17-13/h1-8H,(H,15,16,17)
InChIKeyJHEUTLNGYTXKOM-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
Reference7658435
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 5328023
Drug Bank Link -
ChemSpider Link 4485190
ChEMBL Link CHEMBL119758
 
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