Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001981
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12f compound
IUPAC Name1-(2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
FormulaC25H29N7O3
Mass475.5429
Exact Mass475.2331878
Composition C (63.14%), H (6.15%), N (20.62%), O (10.09%)
Atom Count64
PI8.05
Smilesn1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)C)Oc1ccc(nc1)C
InChI1S/C25H29N7O3/c1-16-13-18(4-6-21(16)35-20-5-3-17(2)26-14-20)29-23-22-24(28-15-27-23)30-31-25(22)34-1
2-11-32-9-7-19(33)8-10-32/h3-6,13-15,19,33H,7-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyLYCPWHYCBIEJPN-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11712609
Drug Bank Link -
ChemSpider Link 9887330
ChEMBL Link CHEMBL257872
 
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