Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000426
Inhibitor ClassCinnamic acid metronidazole ester
Molecule Name in Refrence Article3n compound
IUPAC Name2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl (2E)-3-(2-methoxyphenyl)prop-2-enoate
FormulaC16H17N3O5
Mass331.3233
Exact Mass331.1168207
Composition C (58%), H (5.17%), N (12.68%), O (24.14%)
Atom Count41
PI11.5
Smilesc1(ccccc1/C=C/C(=O)OCCn1c(ncc1N(=O)=O)C)OC
InChI1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)9-10-24-16(20)8-7-13-5-3-4-6-14(13)23-2/h3-8,11H,9-10H2,
1-2H3/b8-7+
InChIKeyCTAHCBONHHOZRK-BQYQJAHWSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 25033674
ChEMBL Link CHEMBL1171273
 
TOP