Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002204
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP502
IUPAC Name3-[4-bromo-3-(methoxymethoxy)phenyl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC16H18BrN5O2
Mass392.25
Exact Mass391.0643875
Composition C (48.99%), H (4.63%), Br (20.37%), N (17.85%), O (8.16%)
Atom Count42
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)Br)OCOC
InChI1S/C16H18BrN5O2/c1-9(2)22-16-13(15(18)19-7-20-16)14(21-22)10-4-5-11(17)12(6-10)24-8-23-3/h4-7,9H,8H2
,1-3H3,(H2,18,19,20)
InChIKeyJSGRAJRLMWHOTJ-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 24905336
Drug Bank Link -
ChemSpider Link 24605122
ChEMBL Link CHEMBL1242286
 
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