Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003263
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article4 compound
IUPAC Name4-(pyridin-3-yl)-N-(4,5,6-trimethoxypyridin-2-yl)pyrimidin-2-amine
FormulaC17H17N5O3
Mass339.3486
Exact Mass339.1331394
Composition C (60.17%), H (5.05%), N (20.64%), O (14.14%)
Atom Count42
PI7.08
Smilesc1c(nc(c(c1OC)OC)OC)Nc1nc(ccn1)c1cccnc1
InChIInChI=1S/C17H17N5O3/c1-23-13-9-14(21-16(25-3)15(13)24-2)22-17-19-8-6-12(20-17)11-5-4-7-18-10-11/h4-1
0H,1-3H3,(H,19,20,21,22)
InChIKeyInChIKey=ORDSOWNMQCYBPY-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
Reference10612598
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymescsk | p56Lck | PKC | ZAP70 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL112263
 
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