Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000803
Inhibitor ClassUnknown
Molecule Name in Refrence Article39 compound
IUPAC NameN-(2H-1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC20H17N5O2
Mass359.3813
Exact Mass359.1382248
Composition C (66.84%), H (4.77%), N (19.49%), O (8.9%)
Atom Count44
PI11.9
Smilesc1nc2c(c(n1)NCc1cc3OCOc3cc1)cnn2c1cc(ccc1)C
InChI1S/C20H17N5O2/c1-13-3-2-4-15(7-13)25-20-16(10-24-25)19(22-11-23-20)21-9-14-5-6-17-18(8-14)27-12-26-1
7/h2-8,10-11H,9,12H2,1H3,(H,21,22,23)
InChIKeyIRLOMICYHIARJL-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
Reference16413185
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 1304420
Drug Bank Link -
ChemSpider Link 1093656
ChEMBL Link CHEMBL206483
 
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