Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002130
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP149
IUPAC NameN-(4-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-4-phenylbenzamide
FormulaC24H18N6O
Mass406.4393
Exact Mass406.1542092
Composition C (70.92%), H (4.46%), N (20.68%), O (3.94%)
Atom Count49
PI7.94
Smilesn1cnc2c(c1N)c(n[nH]2)c1ccc(cc1)NC(=O)c1ccc(cc1)c1ccccc1
InChI1S/C24H18N6O/c25-22-20-21(29-30-23(20)27-14-26-22)17-10-12-19(13-11-17)28-24(31)18-8-6-16(7-9-18)15-
4-2-1-3-5-15/h1-14H,(H,28,31)(H3,25,26,27,29,30)
InChIKeyUTSMKWBXJSXTKR-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 52949497
Drug Bank Link -
ChemSpider Link 26349583
ChEMBL Link CHEMBL1241861
 
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