Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005216
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article9
IUPAC NameN-[3-[[5-Chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
FormulaC22H18ClN5O2
Mass419.864
Exact Mass419.114902552
Composition C (62.93%), H (4.32%), Cl (8.44%), N (16.68%), O (7.62%)
Atom Count48
PI6.47
Smiles[H]C([H])=C([H])C(=O)N([H])C1=C([H])C([H])=C(OC([H])([H])[H])C(N([H])C2=NC([H])=C(Cl)C(=N2)C2=C([H])N([H])C3=C([H])C([H])=C([H])C([H])=C23)=C1[H]
InChI1S/C22H18ClN5O2/c1-3-20(29)26-13-8-9-19(30-2)18(10-13)27-22-25-12-16(23)21(28-22)15-11-24-17-7-5-4-6
-14(15)17/h3-12,24H,1H2,2H3,(H,26,29)(H,25,27,28)
InChIKeyWIISKNAPHJLZGS-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
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Reported activity against other enzymesNo activity data against other kinases present in database
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