Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001358
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1l compound
IUPAC NameN-(1-{[4-({1-[(3-fluorophenyl)methyl]-1H-indazol-5-yl}amino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl}piperidin-4-yl)acetamide
FormulaC28H29FN8O
Mass512.5813
Exact Mass512.2448358
Composition C (65.61%), H (5.7%), F (3.71%), N (21.86%), O (3.12%)
Atom Count67
PI11.16
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@H](CC1)NC(=O)C
InChI1S/C28H29FN8O/c1-19(38)33-24-8-10-35(11-9-24)17-21-7-12-36-27(21)28(30-18-32-36)34-25-5-6-26-22(14-2
5)15-31-37(26)16-20-3-2-4-23(29)13-20/h2-7,12-15,18,24H,8-11,16-17H2,1H3,(H,33,38)(H,30,32,34)
InChIKeyVNSGZPKJDBAOQI-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
Reference17606372
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 22390556
Drug Bank Link -
ChemSpider Link 11389103
ChEMBL Link CHEMBL247512
 
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