Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001769
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article7h (Racemate)
IUPAC Name(2S)-2-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-(4-methoxyphenyl)propan-1-ol
FormulaC23H24N4O3
Mass404.4617
Exact Mass404.1848407
Composition C (68.3%), H (5.98%), N (13.85%), O (11.87%)
Atom Count54
PI11.09
Smilesc12n(cc(c1c(ncn2)N)c1cc(OC)ccc1)[C@@H](Cc1ccc(cc1)OC)CO
InChI1S/C23H24N4O3/c1-29-18-8-6-15(7-9-18)10-17(13-28)27-12-20(16-4-3-5-19(11-16)30-2)21-22(24)25-14-26-2
3(21)27/h3-9,11-12,14,17,28H,10,13H2,1-2H3,(H2,24,25,26)/t17-/m0/s1
InChIKeyZOROFBCOYYIWNJ-KRWDZBQOSA-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
Reference11277535
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src | v-Abl | EGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23238553
ChEMBL Link CHEMBL168555
 
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