Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002858
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article10y compound
IUPAC Name7-hydroxy-2-({7-hydroxy-1-methyl-3-[(phenylamino)methyl]-1H-indol-2-yl}disulfanyl)-1-methyl-N-phenyl-1H-indole-3-carboxamide
FormulaC32H28N4O3S2
Mass580.72
Exact Mass580.1602822
Composition C (66.18%), H (4.86%), N (9.65%), O (8.27%), S (11.04%)
Atom Count69
PI6.43
SmilesCn1c(SSc2c(CNc3ccccc3)c3cccc(c3n2C)O)c(C(=O)Nc2ccccc2)c2cccc(c12)O
InChI1S/C32H28N4O3S2/c1-35-28-22(15-9-17-25(28)37)24(19-33-20-11-5-3-6-12-20)31(35)40-41-32-27(30(39)34-2
1-13-7-4-8-14-21)23-16-10-18-26(38)29(23)36(32)2/h3-18,33,37-38H,19H2,1-2H3,(H,34,39)
InChIKeyLUVMTIJVHJJPFR-UHFFFAOYSA-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
Reference8027985
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL62843
 
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