Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001464
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article21 compound
IUPAC Name1-[(3-fluorophenyl)methyl]-N-{5-[(piperidin-4-yloxy)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1H-indazol-5-amine
FormulaC26H26FN7O
Mass471.5293
Exact Mass471.2182867
Composition C (66.23%), H (5.56%), F (4.03%), N (20.79%), O (3.39%)
Atom Count61
PI12.23
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)COC1CCNCC1
InChI1S/C26H26FN7O/c27-21-3-1-2-18(12-21)15-34-24-5-4-22(13-20(24)14-30-34)32-26-25-19(8-11-33(25)31-17-2
9-26)16-35-23-6-9-28-10-7-23/h1-5,8,11-14,17,23,28H,6-7,9-10,15-16H2,(H,29,31,32)
InChIKeyFHXTXHDRGUEYSH-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 10195479
Drug Bank Link -
ChemSpider Link 8370979
ChEMBL Link CHEMBL245869
 
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