Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002144
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP201
IUPAC Name3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC12H11N5
Mass225.2492
Exact Mass225.1014454
Composition C (63.99%), H (4.92%), N (31.09%)
Atom Count28
PI7.96
Smilesn1cnc2c(c1N)c(n[nH]2)c1ccc(cc1)C
InChI1S/C12H11N5/c1-7-2-4-8(5-3-7)10-9-11(13)14-6-15-12(9)17-16-10/h2-6H,1H3,(H3,13,14,15,16,17)
InChIKeyOXCDRCGLQPSXNL-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 24905250
Drug Bank Link DB01809
ChemSpider Link 24605209
ChEMBL Link CHEMBL1241142
 
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