Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003299
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article12 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
FormulaC13H10ClFN4
Mass276.697
Exact Mass276.0578023
Composition C (56.43%), H (3.64%), Cl (12.81%), F (6.87%), N (20.25%)
Atom Count29
PI9.03
Smilesc12n(ncnc1Nc1cc(c(cc1)F)Cl)c(cc2)C
InChI1S/C13H10ClFN4/c1-8-2-5-12-13(16-7-17-19(8)12)18-9-3-4-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyVMQQVIVRWSLWHO-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
Reference15267243
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | ALL
Pub Chem Link 11288910
Drug Bank Link -
ChemSpider Link 9463897
ChEMBL Link CHEMBL184311
 
TOP