Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001357
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article1k compound
IUPAC NameN-(5-{[4-(dimethylamino)piperidin-1-yl]methyl}pyrrolo[2,1-f][1,2,4]triazin-4-yl)-1-[(3-fluorophenyl)methyl]-1H-indazol-5-amine
FormulaC28H31FN8
Mass498.5977
Exact Mass498.2655712
Composition C (67.45%), H (6.27%), F (3.81%), N (22.47%)
Atom Count68
PI12.29
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1cccc(c1)F)c(cc2)CN1CC[C@@H](CC1)N(C)C
InChI1S/C28H31FN8/c1-34(2)25-9-11-35(12-10-25)18-21-8-13-36-27(21)28(30-19-32-36)33-24-6-7-26-22(15-24)16
-31-37(26)17-20-4-3-5-23(29)14-20/h3-8,13-16,19,25H,9-12,17-18H2,1-2H3,(H,30,32,33)
InChIKeyNLZSXRKDMHPVOQ-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 22390530
Drug Bank Link -
ChemSpider Link 11389067
ChEMBL Link CHEMBL247309
 
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