Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000984
Inhibitor ClassPyrrolo-pyrimidine
Molecule Name in Refrence Article18 compound
IUPAC Name3-({5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)benzoic acid
FormulaC15H14N4O2
Mass282.2973
Exact Mass282.1116757
Composition C (63.82%), H (5%), N (19.85%), O (11.34%)
Atom Count35
PI5.42
Smilesn1cnc2c(c1Nc1cc(ccc1)C(=O)O)c(c([nH]2)C)C
InChI1S/C15H14N4O2/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(6-11)15(20)21/h3-7H,1-2H3,(H,20,21)(H
2,16,17,18,19)
InChIKeyBLFMAJXPFSGCTK-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 10826740
Drug Bank Link -
ChemSpider Link 9002040
ChEMBL Link CHEMBL431001
 
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