Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000993
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article27 compound
IUPAC NameN-(3,5-dichlorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
FormulaC14H12Cl2N4
Mass307.178
Exact Mass306.0439018
Composition C (54.74%), H (3.94%), Cl (23.08%), N (18.24%)
Atom Count32
PI10.38
Smilesn1cnc2c(c1Nc1cc(cc(c1)Cl)Cl)c(c([nH]2)C)C
InChI1S/C14H12Cl2N4/c1-7-8(2)19-13-12(7)14(18-6-17-13)20-11-4-9(15)3-10(16)5-11/h3-6H,1-2H3,(H2,17,18,19,
20)
InChIKeyMQEHEANDFNFOSY-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 10638407
Drug Bank Link -
ChemSpider Link 8813769
ChEMBL Link CHEMBL73406
 
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