Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001992
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12q compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(morpholin-4-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC23H24ClN7O3
Mass481.935
Exact Mass481.1629154
Composition C (57.32%), H (5.02%), Cl (7.36%), N (20.34%), O (9.96%)
Atom Count58
PI9.04
Smilesn1cnc(c2c1[nH]nc2OCCN1CCOCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1
InChI1S/C23H24ClN7O3/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-25-17)28-21-20-22(27-15-26-21)29-30-23(20)33
-12-9-31-7-10-32-11-8-31/h1-6,13,15H,7-12,14H2,(H2,26,27,28,29,30)
InChIKeyGOWVVIDXCJWUFJ-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
Reference18182285
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11619972
Drug Bank Link -
ChemSpider Link 9794720
ChEMBL Link CHEMBL271705
 
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