Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002428
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article13 compound
IUPAC Name6-[(2,4-dichlorophenyl)methyl]-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
FormulaC20H13Cl2F4N5
Mass470.25
Exact Mass469.0484137
Composition C (51.08%), H (2.79%), Cl (15.08%), F (16.16%), N (14.89%)
Atom Count44
PI10.23
Smilesc1(nc2c(c(n1)Nc1cc(c(cc1)C(F)(F)F)F)cc([nH]2)Cc1ccc(cc1Cl)Cl)N
InChI1S/C20H13Cl2F4N5/c21-10-2-1-9(15(22)6-10)5-12-7-13-17(30-19(27)31-18(13)29-12)28-11-3-4-14(16(23)8-1
1)20(24,25)26/h1-4,6-8H,5H2,(H4,27,28,29,30,31)
InChIKeyAGRZDXRWPOUZPR-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
Reference20403700
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR beta | VEGFR1 | VEGFR2 | ALL
Pub Chem Link 46886974
Drug Bank Link -
ChemSpider Link 24669905
ChEMBL Link CHEMBL1094808
 
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