Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000427
Inhibitor ClassCinnamic acid metronidazole ester
Molecule Name in Refrence Article3o compound
IUPAC Name2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(3-nitrophenyl)prop-2-enoate
FormulaC15H14N4O6
Mass346.2949
Exact Mass346.0913342
Composition C (52.03%), H (4.07%), N (16.18%), O (27.72%)
Atom Count39
PI11.57
Smilesc1c(cccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)N(=O)=O
InChI1S/C15H14N4O6/c1-11-16-10-14(19(23)24)17(11)7-8-25-15(20)6-5-12-3-2-4-13(9-12)18(21)22/h2-6,9-10H,7-
8H2,1H3/b6-5+
InChIKeyDDFVEPVOFUZFCZ-AATRIKPKSA-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
Reference20594859
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 -
Drug Bank Link -
ChemSpider Link 25038647
ChEMBL Link CHEMBL1172950
 
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