Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000992
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article26 compound
IUPAC NameN-(2-chlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC14H13ClN4
Mass272.733
Exact Mass272.0828741
Composition C (61.65%), H (4.8%), Cl (13%), N (20.54%)
Atom Count32
PI9.76
Smilesn1cnc2c(c1Nc1c(cccc1)Cl)c(c([nH]2)C)C
InChI1S/C14H13ClN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-6-4-3-5-10(11)15/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyFMTSNECBYBECGH-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
Reference8691423
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 13492275
Drug Bank Link -
ChemSpider Link 10534086
ChEMBL Link CHEMBL73625
 
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