Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003297
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article10 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-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
PI9.16
Smilesc12c(ncnn1ccc2C)Nc1cc(c(cc1)F)Cl
InChI1S/C13H10ClFN4/c1-8-4-5-19-12(8)13(16-7-17-19)18-9-2-3-11(15)10(14)6-9/h2-7H,1H3,(H,16,17,18)
InChIKeyMQUDAGONIFHBJH-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
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Reported activity against other enzymesVEGFR2 | ALL
Pub Chem Link 11357877
Drug Bank Link -
ChemSpider Link 9532804
ChEMBL Link CHEMBL188304
 
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