Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004620
Inhibitor ClassIndazole
Molecule Name in Refrence Article14a
IUPAC Name{2-[4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1H-imidazol-1-yl]ethyl}dimethylamine
FormulaC20H20FN5
Mass349.4047
Exact Mass349.1702739
Composition C (68.75%), H (5.77%), F (5.44%), N (20.04%)
Atom Count46
PI11.29
Smilesn1c(c(n(c1)CCN(C)C)c1cc2cn[nH]c2cc1)c1ccc(cc1)F
InChI1S/C20H20FN5/c1-25(2)9-10-26-13-22-19(14-3-6-17(21)7-4-14)20(26)15-5-8-18-16(11-15)12-23-24-18/h3-8,
11-13H,9-10H2,1-2H3,(H,23,24)
InChIKeyBMFRTFUXTDHARJ-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
Reference21288717
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesKdr | Pim1 | Rock2 | Gsk3b | Aurora2 | Pak4 | Jak2 | ALL
Pub Chem Link 25165279
Drug Bank Link -
ChemSpider Link 26388383
ChEMBL Link CHEMBL1682557
 
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