Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003242
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article5i compound
IUPAC Name2-[(2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}ethyl)(methyl)amino]ethan-1-ol
FormulaC23H32N6O2
Mass424.5392
Exact Mass424.2586743
Composition C (65.07%), H (7.6%), N (19.8%), O (7.54%)
Atom Count63
PI12.54
Smilesn1cnc2c(c1N)c(cn2C1CCN(CC1)CCN(CCO)C)c1cc(ccc1)OC
InChI1S/C23H32N6O2/c1-27(12-13-30)10-11-28-8-6-18(7-9-28)29-15-20(17-4-3-5-19(14-17)31-2)21-22(24)25-16-2
6-23(21)29/h3-5,14-16,18,30H,6-13H2,1-2H3,(H2,24,25,26)
InChIKeyFWVUUGWQEZWWHV-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
Reference11277536
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesv-Abl | c-Src | ALL
Pub Chem Link 44381409
Drug Bank Link -
ChemSpider Link 23238929
ChEMBL Link CHEMBL168661
 
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