Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001985
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12j compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3-[2-(methylamino)ethoxy]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC20H20ClN7O2
Mass425.872
Exact Mass425.1367006
Composition C (56.41%), H (4.73%), Cl (8.32%), N (23.02%), O (7.51%)
Atom Count50
PI9.13
Smilesn1cnc(c2c1[nH]nc2OCCNC)Nc1ccc(c(c1)Cl)OCc1ncccc1
InChI1S/C20H20ClN7O2/c1-22-8-9-29-20-17-18(24-12-25-19(17)27-28-20)26-13-5-6-16(15(21)10-13)30-11-14-4-2-
3-7-23-14/h2-7,10,12,22H,8-9,11H2,1H3,(H2,24,25,26,27,28)
InChIKeyMPSMEEDGQBLMNI-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 11597061
Drug Bank Link -
ChemSpider Link 9771821
ChEMBL Link CHEMBL255135
 
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