Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001391
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article7c compound
IUPAC Name4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N,N-dimethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
FormulaC25H25N7O
Mass439.5123
Exact Mass439.2120585
Composition C (68.32%), H (5.73%), N (22.31%), O (3.64%)
Atom Count58
PI8.02
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)N(C)C)CC
InChI1S/C25H25N7O/c1-4-20-21(25(33)30(2)3)15-32-23(20)24(26-16-28-32)29-19-10-11-22-18(12-19)13-27-31(22)
14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28,29)
InChIKeyFAFIJKWOYIPTEN-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 21945841
Drug Bank Link -
ChemSpider Link 10700370
ChEMBL Link CHEMBL372293
 
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