Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003236
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article5c compound
IUPAC Name2-{4-[4-amino-5-(3-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl}-N,N-dimethylacetamide
FormulaC21H26N6O2
Mass394.4701
Exact Mass394.2117241
Composition C (63.94%), H (6.64%), N (21.3%), O (8.11%)
Atom Count55
PI8.99
Smilesn1cnc2c(c1N)c(cn2C1CCN(CC1)CC(=O)N(C)C)c1cc(ccc1)O
InChI1S/C21H26N6O2/c1-25(2)18(29)12-26-8-6-15(7-9-26)27-11-17(14-4-3-5-16(28)10-14)19-20(22)23-13-24-21(1
9)27/h3-5,10-11,13,15,28H,6-9,12H2,1-2H3,(H2,22,23,24)
InChIKeyHUZDGCVNDDSQGA-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 18792868
Drug Bank Link -
ChemSpider Link 13740922
ChEMBL Link CHEMBL169920
 
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