Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003402
Inhibitor ClassTriazine
Molecule Name in Refrence Article44 compound
IUPAC Name5-({6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-5-(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-2,4-difluoro-N-methoxybenzamide
FormulaC20H17F4N7O3
Mass479.3877
Exact Mass479.1329003
Composition C (50.11%), H (3.57%), F (15.85%), N (20.45%), O (10.01%)
Atom Count51
PI4.74
Smilesc1(c(c2n(c1)ncnc2Nc1cc(c(cc1F)F)C(=O)NOC)C(C)C)c1oc(nn1)C(F)F
InChI1S/C20H17F4N7O3/c1-8(2)14-10(19-28-29-20(34-19)16(23)24)6-31-15(14)17(25-7-26-31)27-13-4-9(18(32)30-
33-3)11(21)5-12(13)22/h4-8,16H,1-3H3,(H,30,32)(H,25,26,27)
InChIKeyBPXQYAXTDCQZHB-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 | FGFR1 | LCK | VEGFR2 | Flk-1 | ALL
Pub Chem Link 10073832
Drug Bank Link -
ChemSpider Link 8249372
ChEMBL Link CHEMBL194498
 
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