Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003265
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article11 compound
IUPAC Name4-[6-(piperazin-1-yl)pyridin-3-yl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
FormulaC22H26N6O3
Mass422.4802
Exact Mass422.2066387
Composition C (62.54%), H (6.2%), N (19.89%), O (11.36%)
Atom Count57
PI10.89
Smilesc1(nc(c2cnc(N3CCNCC3)cc2)ccn1)Nc1cc(c(c(c1)OC)OC)OC
InChI1S/C22H26N6O3/c1-29-18-12-16(13-19(30-2)21(18)31-3)26-22-24-7-6-17(27-22)15-4-5-20(25-14-15)28-10-8-
23-9-11-28/h4-7,12-14,23H,8-11H2,1-3H3,(H,24,26,27)
InChIKeyNQXBCUWKAWQTMT-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 9888491
Drug Bank Link -
ChemSpider Link 8064163
ChEMBL Link CHEMBL322066
 
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