Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001450
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article8 compound
IUPAC NameN-{5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-(pyridin-2-ylmethyl)-1H-indazol-5-amine
FormulaC20H17N7
Mass355.3959
Exact Mass355.1545436
Composition C (67.59%), H (4.82%), N (27.59%)
Atom Count44
PI9.69
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccn1)c(cc2)C
InChI1S/C20H17N7/c1-14-7-9-26-19(14)20(22-13-24-26)25-16-5-6-18-15(10-16)11-23-27(18)12-17-4-2-3-8-21-17/
h2-11,13H,12H2,1H3,(H,22,24,25)
InChIKeyXWOBYUGXRJUXJF-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
Reference17270437
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 44440816
Drug Bank Link -
ChemSpider Link 23305098
ChEMBL Link CHEMBL394462
 
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