Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000612
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article51 compound
IUPAC Name(3Z)-2-amino-3-[(3,4,5-trihydroxyphenyl)methylidene]prop-1-ene-1,1,3-tricarbonitrile
FormulaC13H8N4O3
Mass268.2276
Exact Mass268.0596401
Composition C (58.21%), H (3.01%), N (20.89%), O (17.89%)
Atom Count28
PI1.54
Smilesc1c(c(c(cc1/C=C(/C(=C(C#N)C#N)N)C#N)O)O)O
InChI1S/C13H8N4O3/c14-4-8(12(17)9(5-15)6-16)1-7-2-10(18)13(20)11(19)3-7/h1-3,18-20H,17H2/b8-1+
InChIKeyJKNOYWVMHPMBEL-UNXLUWIOSA-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 | 16321529 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFR beta | VEGFR2 | FGFR1 | PDGFR beta | VEGFR2 | FGFR1 | ALL
Pub Chem Link 5328807
Drug Bank Link -
ChemSpider Link 4485969
ChEMBL Link CHEMBL78257
 
TOP