Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005214
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article7
IUPAC Name1-[4-[4-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
FormulaC25H25ClN6O2
Mass476.958
Exact Mass476.172751781
Composition C (62.95%), H (5.28%), Cl (7.43%), N (17.62%), O (6.71%)
Atom Count59
PI8.24
Smiles[H]N(C1=NC([H])=C(Cl)C(=N1)C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)C1=C([H])C([H])=C(C([H])=C1OC([H])([H])[H])N1C([H])([H])C([H])([H])N(C(=O)C([H])([H])[H])C([H])([H])C1([H])[H]
InChI1S/C25H25ClN6O2/c1-16(33)31-9-11-32(12-10-31)17-7-8-22(23(13-17)34-2)29-25-28-15-20(26)24(30-25)19-1
4-27-21-6-4-3-5-18(19)21/h3-8,13-15,27H,9-12H2,1-2H3,(H,28,29,30)
InChIKeyVFZGFLQJVHZUBY-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
Reference23930994
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
TOP