Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004169
Inhibitor ClassPyridine
Molecule Name in Refrence Article10 compound
IUPAC NameN-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-4-ethoxy-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
FormulaC25H19ClF2N4O4
Mass512.893
Exact Mass512.1062892
Composition C (58.54%), H (3.73%), Cl (6.91%), F (7.41%), N (10.92%), O (12.48%)
Atom Count55
PI9.4
Smilesc1cc(ccc1n1ccc(c(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1ccnc(c1Cl)N)OCC)F
InChI1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15
)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)
InChIKeyVNBRGSXVFBYQNN-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
Reference19260711
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAurB | Axl | BTK | CDK2E | EGFR | FLT3 | GSK-3 beta | IGFR1R | IKK1/2 | InsR | Jak2 | Lck | Mer | Met | MK2 | P38a | PIM1 | PKA | PlK1/3 | Ron | TrkA | TrkB | Tyro3 | VEGFR2 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 21437043
ChEMBL Link CHEMBL460702
 
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