Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001386
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article5j compound
IUPAC Nameethyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
FormulaC26H26N6O2
Mass454.5236
Exact Mass454.2117241
Composition C (68.7%), H (5.77%), N (18.49%), O (7.04%)
Atom Count60
PI8
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)OCC)CCC
InChI1S/C26H26N6O2/c1-3-8-21-22(26(33)34-4-2)16-32-24(21)25(27-17-29-32)30-20-11-12-23-19(13-20)14-28-31(
23)15-18-9-6-5-7-10-18/h5-7,9-14,16-17H,3-4,8,15H2,1-2H3,(H,27,29,30)
InChIKeyVRGOWRHHJHLAFC-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
Reference16111887
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 23589555
Drug Bank Link -
ChemSpider Link 19705456
ChEMBL Link CHEMBL438805
 
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