Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001456
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article13 compound
IUPAC Name1-[(3-fluorophenyl)methyl]-N-{5-[(2-methoxyethoxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine
FormulaC24H23FN6O2
Mass446.4768
Exact Mass446.1866522
Composition C (64.56%), H (5.19%), F (4.26%), N (18.82%), O (7.17%)
Atom Count56
PI8.42
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COCCOC
InChI1S/C24H23FN6O2/c1-32-9-10-33-15-18-7-8-30-23(18)24(26-16-28-30)29-21-5-6-22-19(12-21)13-27-31(22)14-
17-3-2-4-20(25)11-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,28,29)
InChIKeyRSIUAJHRAOKMFS-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 44440821
Drug Bank Link -
ChemSpider Link 23305104
ChEMBL Link CHEMBL246489
 
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