Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001684
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article29 compound
IUPAC Name(2E)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoic acid
FormulaC12H12N2O2
Mass216.2359
Exact Mass216.0898776
Composition C (66.65%), H (5.59%), N (12.96%), O (14.8%)
Atom Count28
PI4.03
Smilesc1(ccc(cc1)N(C)C)/C=C(C#N)/C(=O)O
InChI1S/C12H12N2O2/c1-14(2)11-5-3-9(4-6-11)7-10(8-13)12(15)16/h3-7H,1-2H3,(H,15,16)/b10-7+
InChIKeyCXZXLLVNQYUMAW-JXMROGBWSA-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
Reference2552117
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 1550166
Drug Bank Link -
ChemSpider Link 1266856
ChEMBL Link CHEMBL77436
 
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