Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002117
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP135
IUPAC Name3-(1-methyl-1H-indol-5-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H18N6
Mass306.365
Exact Mass306.1592946
Composition C (66.65%), H (5.92%), N (27.43%)
Atom Count41
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)n(cc2)C
InChI1S/C17H18N6/c1-10(2)23-17-14(16(18)19-9-20-17)15(21-23)12-4-5-13-11(8-12)6-7-22(13)3/h4-10H,1-3H3,(H
2,18,19,20)
InChIKeySPUWUOGLPPVXCW-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 24905221
Drug Bank Link -
ChemSpider Link 24605238
ChEMBL Link CHEMBL1242384
 
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