Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003264
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article10 compound
IUPAC Name4-{6-[(2-aminoethyl)amino]pyridin-3-yl}-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
FormulaC20H24N6O3
Mass396.443
Exact Mass396.1909887
Composition C (60.59%), H (6.1%), N (21.2%), O (12.11%)
Atom Count53
PI11.31
Smilesc1(nc(c2cnc(NCCN)cc2)ccn1)Nc1cc(c(c(c1)OC)OC)OC
InChIInChI=1S/C20H24N6O3/c1-27-16-10-14(11-17(28-2)19(16)29-3)25-20-23-8-6-15(26-20)13-4-5-18(24-12-13)22
-9-7-21/h4-6,8,10-12H,7,9,21H2,1-3H3,(H,22,24)(H,23,25,26)
InChIKeyInChIKey=QNULKTUETCUJKC-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
Find Similar Compounds
                                   

Reported activity against other enzymescsk | p56Lck | PKC | ZAP70 | ALL
Pub Chem Link 15550318
Drug Bank Link -
ChemSpider Link 13602330
ChEMBL Link CHEMBL113185
 
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