Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001367
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article8b compound
IUPAC NameN-{5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}-1-(pyridin-2-ylmethyl)-1H-indazol-5-amine
FormulaC25H27N9
Mass453.5422
Exact Mass453.2389419
Composition C (66.2%), H (6%), N (27.79%)
Atom Count61
PI12.44
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccn1)c(cc2)CN1CC[C@@H](CC1)N
InChI1S/C25H27N9/c26-20-7-10-32(11-8-20)15-18-6-12-33-24(18)25(28-17-30-33)31-21-4-5-23-19(13-21)14-29-34
(23)16-22-3-1-2-9-27-22/h1-6,9,12-14,17,20H,7-8,10-11,15-16,26H2,(H,28,30,31)
InChIKeyNLIUCSKZGNJKGU-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 44441014
Drug Bank Link -
ChemSpider Link 23305269
ChEMBL Link CHEMBL247914
 
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