Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003298
Inhibitor ClassPyrrolo-triazine
Molecule Name in Refrence Article11 compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-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
PI9.17
Smilesc12n(ncnc1Nc1cc(c(cc1)F)Cl)cc(c2)C
InChI1S/C13H10ClFN4/c1-8-4-12-13(16-7-17-19(12)6-8)18-9-2-3-11(15)10(14)5-9/h2-7H,1H3,(H,16,17,18)
InChIKeySJLCKPQILXEAQP-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 11380375
Drug Bank Link -
ChemSpider Link 9555289
ChEMBL Link CHEMBL186080
 
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