Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003570
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article32a compound
IUPAC Name(2S)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2-(trifluoroacetamido)ethyl]-1H-indol-2-yl}diselanyl)-1H-indol-3-yl]-2-(trifluoroacetamido)propanamide
FormulaC40H34F6N6O4Se2
Mass934.65
Exact Mass936.0876165
Composition C (51.4%), H (3.67%), F (12.2%), N (8.99%), O (6.85%), Se (16.9%)
Atom Count92
PI0.54
Smilesc1(c(c2c([nH]1)cccc2)C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc1ccccc1)[Se][Se]c1c(c2c([nH]1)cccc2)C[C@H](NC(=O)C(F)(F)F)C(=O)NCc1ccccc1
InChI1S/C40H34F6N6O4Se2/c41-39(42,43)37(55)51-31(33(53)47-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)4
9-35(27)57-58-36-28(26-16-8-10-18-30(26)50-36)20-32(52-38(56)40(44,45)46)34(54)48-22-24-13-5-2-6-14-
24/h1-18,31-32,49-50H,19-22H2,(H,47,53)(H,48,54)(H,51,55)(H,52,56)/t31-,32+
InChIKeyFWFCALLHZITRMJ-MEKGRNQZSA-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
Reference9046331
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPDGFr | v-src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23212241
ChEMBL Link CHEMBL336410
 
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