Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002223
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP89
IUPAC Name3-(1H-indol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC16H16N6
Mass292.3384
Exact Mass292.1436445
Composition C (65.74%), H (5.52%), N (28.75%)
Atom Count38
PI11.27
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)[nH]cc2
InChI1S/C16H16N6/c1-9(2)22-16-13(15(17)19-8-20-16)14(21-22)11-3-4-12-10(7-11)5-6-18-12/h3-9,18H,1-2H3,(H2
,17,19,20)
InChIKeyPNEGWAQERPTPDN-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 24905188
Drug Bank Link -
ChemSpider Link 24605272
ChEMBL Link CHEMBL1242294
 
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