Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004617
Inhibitor ClassIndazole
Molecule Name in Refrence Article14c
IUPAC Name5-[4-(4-fluorophenyl)-1-[3-(morpholin-4-yl)propyl]-1H-imidazol-5-yl]-1H-indazole
FormulaC23H24FN5O
Mass405.468
Exact Mass405.1964886
Composition C (68.13%), H (5.97%), F (4.69%), N (17.27%), O (3.95%)
Atom Count54
PI10.6
Smilesn1c(c(n(c1)CCCN1CCOCC1)c1cc2cn[nH]c2cc1)c1ccc(cc1)F
InChI1S/C23H24FN5O/c24-20-5-2-17(3-6-20)22-23(18-4-7-21-19(14-18)15-26-27-21)29(16-25-22)9-1-8-28-10-12-3
0-13-11-28/h2-7,14-16H,1,8-13H2,(H,26,27)
InChIKeyHLFSCVDUUVJVCD-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 -
Drug Bank Link -
ChemSpider Link 26386086
ChEMBL Link CHEMBL1682559
 
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