Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002206
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP53
IUPAC Name1-(propan-2-yl)-3-(pyrimidin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC12H13N7
Mass255.2785
Exact Mass255.1232435
Composition C (56.46%), H (5.13%), N (38.41%)
Atom Count32
PI13.1
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cncnc1
InChI1S/C12H13N7/c1-7(2)19-12-9(11(13)16-6-17-12)10(18-19)8-3-14-5-15-4-8/h3-7H,1-2H3,(H2,13,16,17)
InChIKeyUAKWDILRCZKWFX-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905171
Drug Bank Link -
ChemSpider Link 24605290
ChEMBL Link CHEMBL1241391
 
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