Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002072
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP206
IUPAC Name3-(2,3-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC13H13N5
Mass239.2758
Exact Mass239.1170954
Composition C (65.25%), H (5.48%), N (29.27%)
Atom Count31
PI7.94
Smilesc1(ncnc2c1c(n[nH]2)c1c(c(ccc1)C)C)N
InChI1S/C13H13N5/c1-7-4-3-5-9(8(7)2)11-10-12(14)15-6-16-13(10)18-17-11/h3-6H,1-2H3,(H3,14,15,16,17,18)
InChIKeyAOJDXERKDPWWFJ-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
Reference18849971
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 24905255
Drug Bank Link -
ChemSpider Link 24605204
ChEMBL Link CHEMBL1241145
 
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