Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002162
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP35
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]furan-3-carbaldehyde
FormulaC13H13N5O2
Mass271.2746
Exact Mass271.1069247
Composition C (57.56%), H (4.83%), N (25.82%), O (11.8%)
Atom Count33
PI12.98
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(co1)C=O
InChI1S/C13H13N5O2/c1-7(2)18-13-10(12(14)15-6-16-13)11(17-18)9-3-8(4-19)5-20-9/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyCDJSZJDGHKEHCW-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 24905158
Drug Bank Link -
ChemSpider Link 24605303
ChEMBL Link CHEMBL1241439
 
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