Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002079
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP34
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-3-methylthiophene-2-carbaldehyde
FormulaC14H15N5OS
Mass301.367
Exact Mass301.0997308
Composition C (55.8%), H (5.02%), N (23.24%), O (5.31%), S (10.64%)
Atom Count36
PI13.06
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(s1)C=O)C
InChI1S/C14H15N5OS/c1-7(2)19-14-11(13(15)16-6-17-14)12(18-19)9-4-8(3)10(5-20)21-9/h4-7H,1-3H3,(H2,15,16,1
7)
InChIKeyJFJRIADKVAOEDG-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 24905157
Drug Bank Link -
ChemSpider Link 24605304
ChEMBL Link CHEMBL1241947
 
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