Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003240
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article5g compound
IUPAC Name2-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}-N,N-dimethylacetamide
FormulaC22H28N6O2
Mass408.4967
Exact Mass408.2273742
Composition C (64.68%), H (6.91%), N (20.57%), O (7.83%)
Atom Count58
PINo isoelectric point.
Smilesn1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N(C)C)c1cc(ccc1)OC
InChI1S/C22H28N6O2/c1-26(2)19(29)13-27-9-7-16(8-10-27)28-12-18(15-5-4-6-17(11-15)30-3)20-21(23)24-14-25-2
2(20)28/h4-6,11-12,14,16H,7-10,13H2,1-3H3,(H2,23,24,25)
InChIKeyTUXRFGDOGJUGFD-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 44381580
Drug Bank Link -
ChemSpider Link 23239116
ChEMBL Link CHEMBL355269
 
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