Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002739
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article2 compound
IUPAC Name(2R)-2-amino-3-[2-({3-[(2R)-2-amino-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}disulfanyl)-1H-indol-3-yl]-N-benzylpropanamide
FormulaC36H36N6O2S2
Mass648.84
Exact Mass648.2341158
Composition C (66.64%), H (5.59%), N (12.95%), O (4.93%), S (9.88%)
Atom Count82
PI10.52
Smilesc1(c(c2c([nH]1)cccc2)C[C@H](C(=O)NCc1ccccc1)N)SSc1c(c2c([nH]1)cccc2)C[C@H](C(=O)NCc1ccccc1)N
InChI1S/C36H36N6O2S2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(2
6-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H,
39,43)(H,40,44)/t29-,30-/m1/s1
InChIKeyMCNYLFAPBYIPPD-LOYHVIPDSA-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 | 9046331 |
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485264
ChEMBL Link CHEMBL336174
 
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