Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001390
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article7b compound
IUPAC Name4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
FormulaC24H23N7O
Mass425.4857
Exact Mass425.1964084
Composition C (67.75%), H (5.45%), N (23.04%), O (3.76%)
Atom Count55
PI7.74
Smilesn1cnn2c(c1Nc1ccc3c(c1)cnn3Cc1ccccc1)c(c(c2)C(=O)NC)CC
InChI1S/C24H23N7O/c1-3-19-20(24(32)25-2)14-31-22(19)23(26-15-28-31)29-18-9-10-21-17(11-18)12-27-30(21)13-
16-7-5-4-6-8-16/h4-12,14-15H,3,13H2,1-2H3,(H,25,32)(H,26,28,29)
InChIKeyXSUGKVVBKGFATM-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 23646545
Drug Bank Link -
ChemSpider Link 23261344
ChEMBL Link CHEMBL197689
 
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