Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001133
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article38 compound
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
FormulaC20H19N5O
Mass345.3978
Exact Mass345.1589603
Composition C (69.55%), H (5.54%), N (20.28%), O (4.63%)
Atom Count45
PINo isoelectric point.
Smilesn12c(nc(cc1NCCc1ccc(cc1)OC)c1ccccc1)ncn2
InChI1S/C20H19N5O/c1-26-17-9-7-15(8-10-17)11-12-21-19-13-18(16-5-3-2-4-6-16)24-20-22-14-23-25(19)20/h2-10
,13-14,21H,11-12H2,1H3
InChIKeyWPUCXGWTZVUGQB-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
Reference18500794
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 3227271
Drug Bank Link -
ChemSpider Link 2478370
ChEMBL Link CHEMBL518923
 
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