Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001989
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12n compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(piperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC23H25ClN8O2
Mass480.95
Exact Mass480.1788998
Composition C (57.44%), H (5.24%), Cl (7.37%), N (23.3%), O (6.65%)
Atom Count59
PI9.05
Smilesn1cnc(c2c1[nH]nc2OCCN1CCNCC1)Nc1ccc(c(c1)Cl)OCc1ncccc1
InChI1S/C23H25ClN8O2/c24-18-13-16(4-5-19(18)34-14-17-3-1-2-6-26-17)29-21-20-22(28-15-27-21)30-31-23(20)33
-12-11-32-9-7-25-8-10-32/h1-6,13,15,25H,7-12,14H2,(H2,27,28,29,30,31)
InChIKeyCAZQZPUZMIOJCR-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 11518627
Drug Bank Link -
ChemSpider Link 9693415
ChEMBL Link CHEMBL257430
 
TOP