Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001766
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article7e (Racemate)
IUPAC Name(2S)-2-{4-amino-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-3-(4-methoxyphenyl)propan-1-ol
FormulaC22H22N4O2
Mass374.4357
Exact Mass374.174276
Composition C (70.57%), H (5.92%), N (14.96%), O (8.55%)
Atom Count50
PI11.09
Smilesc12n(cc(c1c(ncn2)N)c1ccccc1)[C@@H](Cc1ccc(cc1)OC)CO
InChI1S/C22H22N4O2/c1-28-18-9-7-15(8-10-18)11-17(13-27)26-12-19(16-5-3-2-4-6-16)20-21(23)24-14-25-22(20)2
6/h2-10,12,14,17,27H,11,13H2,1H3,(H2,23,24,25)/t17-/m0/s1
InChIKeyCTAZKUKBHBXUFJ-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 23239024
ChEMBL Link CHEMBL171256
 
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