Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001986
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12k compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(4-methylpiperazin-1-yl)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC24H27ClN8O2
Mass494.977
Exact Mass494.1945499
Composition C (58.24%), H (5.5%), Cl (7.16%), N (22.64%), O (6.46%)
Atom Count62
PI8.07
Smilesn1cnc(c2c1[nH]nc2OCCN1CCN(CC1)C)Nc1ccc(c(c1)Cl)OCc1ncccc1
InChI1S/C24H27ClN8O2/c1-32-8-10-33(11-9-32)12-13-34-24-21-22(27-16-28-23(21)30-31-24)29-17-5-6-20(19(25)1
4-17)35-15-18-4-2-3-7-26-18/h2-7,14,16H,8-13,15H2,1H3,(H2,27,28,29,30,31)
InChIKeyBZUIGXZUUGQBLL-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 11634645
Drug Bank Link -
ChemSpider Link 9809389
ChEMBL Link CHEMBL258282
 
TOP