Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002663
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article10s compound
IUPAC Name(1S)-2-[2-({3-[(2S)-2-(acetyloxy)-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]-1-(benzylcarbamoyl)ethyl acetate
FormulaC40H38N4O6S2
Mass734.883
Exact Mass734.2232763
Composition C (65.37%), H (5.21%), N (7.62%), O (13.06%), S (8.73%)
Atom Count90
PINo isoelectric point.
Smilesc1(c(c2c([nH]1)cccc2)C[C@@H](C(=O)NCc1ccccc1)OC(=O)C)SSc1c(c2c([nH]1)cccc2)C[C@@H](C(=O)NCc1ccccc1)OC(=O)C
InChI1S/C40H38N4O6S2/c1-25(45)49-35(37(47)41-23-27-13-5-3-6-14-27)21-31-29-17-9-11-19-33(29)43-39(31)51-5
2-40-32(30-18-10-12-20-34(30)44-40)22-36(50-26(2)46)38(48)42-24-28-15-7-4-8-16-28/h3-20,35-36,43-44H
,21-24H2,1-2H3,(H,41,47)(H,42,48)/t35-,36-/m0/s1
InChIKeyULJVYCBHZIELSM-ZPGRZCPFSA-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
Reference7510340
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485750
ChEMBL Link -
 
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