Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001982
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article12g compound
IUPAC Name1-(2-{[4-({3-fluoro-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
FormulaC24H26FN7O3
Mass479.5067
Exact Mass479.2081159
Composition C (60.12%), H (5.47%), F (3.96%), N (20.45%), O (10.01%)
Atom Count61
PI8.05
Smilesn1cnc(c2c1[nH]nc2OCCN1CC[C@H](CC1)O)Nc1ccc(c(c1)F)Oc1ccc(nc1)C
InChI1S/C24H26FN7O3/c1-15-2-4-18(13-26-15)35-20-5-3-16(12-19(20)25)29-22-21-23(28-14-27-22)30-31-24(21)34
-11-10-32-8-6-17(33)7-9-32/h2-5,12-14,17,33H,6-11H2,1H3,(H2,27,28,29,30,31)
InChIKeyKOBKLBFNTIJTTR-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 11670167
Drug Bank Link -
ChemSpider Link 9844898
ChEMBL Link CHEMBL257873
 
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