Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002754
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article7g compound
IUPAC NameN-benzyl-2-{[3-(benzylcarbamoyl)-1-methyl-1H-indol-2-yl]disulfanyl}-1-methyl-1H-indole-3-carboxamide
FormulaC34H30N4O2S2
Mass590.758
Exact Mass590.1810176
Composition C (69.13%), H (5.12%), N (9.48%), O (5.42%), S (10.86%)
Atom Count72
PI6.24
Smilesc1(c(c2c(n1C)cccc2)C(=O)NCc1ccccc1)SSc1c(c2c(n1C)cccc2)C(=O)NCc1ccccc1
InChI1S/C34H30N4O2S2/c1-37-27-19-11-9-17-25(27)29(31(39)35-21-23-13-5-3-6-14-23)33(37)41-42-34-30(26-18-1
0-12-20-28(26)38(34)2)32(40)36-22-24-15-7-4-8-16-24/h3-20H,21-22H2,1-2H3,(H,35,39)(H,36,40)
InChIKeyWQRADLHSHDAHEX-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
Reference7837241
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC |
Pub Chem Link 10371203
Drug Bank Link -
ChemSpider Link 8546648
ChEMBL Link CHEMBL158275
 
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