Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001650
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article22 compound
IUPAC Name3-[({5-[(1E)-2-carbamoyl-2-cyanoeth-1-en-1-yl]-2-hydroxy-3-methoxyphenyl}methyl)sulfanyl]propanoic acid
FormulaC15H16N2O5S
Mass336.363
Exact Mass336.0779923
Composition C (53.56%), H (4.79%), N (8.33%), O (23.78%), S (9.53%)
Atom Count39
PI1.44
Smilesc1(cc(c(c(c1)OC)O)CSCCC(=O)O)/C=C(C#N)/C(=O)N
InChI1S/C15H16N2O5S/c1-22-12-6-9(4-10(7-16)15(17)21)5-11(14(12)20)8-23-3-2-13(18)19/h4-6,20H,2-3,8H2,1H3,
(H2,17,21)(H,18,19)/b10-4+
InChIKeyYYMPEPWCZBKSOU-ONNFQVAWSA-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
Reference7902440
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 44345675
Drug Bank Link -
ChemSpider Link 23201873
ChEMBL Link CHEMBL424625
 
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