Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003401
Inhibitor ClassTriazine
Molecule Name in Refrence Article37 compound
IUPAC Name2,4-difluoro-N-methoxy-5-{[6-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino}benzamide
FormulaC20H19F2N7O3
Mass443.4068
Exact Mass443.1517439
Composition C (54.17%), H (4.32%), F (8.57%), N (22.11%), O (10.82%)
Atom Count51
PI4.85
Smilesc1(c(c2n(c1)ncnc2Nc1cc(c(cc1F)F)C(=O)NOC)C(C)C)c1nnc(o1)C
InChI1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)1
3(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
InChIKeyDSBPVMDUESDKNK-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
Reference15943473
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR beta | IGF1R | CDK2 | PKC alpha | VEGFR2 | FGFR1 | LCK | Flk-1 | ALL
Pub Chem Link 10478569
Drug Bank Link -
ChemSpider Link 8653977
ChEMBL Link CHEMBL365318
 
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