Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002664
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article10t compound
IUPAC Name(2R)-N-benzyl-3-[2-({3-[(2R)-2-(benzylcarbamoyl)-2-hydroxyethyl]-1H-indol-2-yl}sulfanyl)-1H-indol-3-yl]-2-hydroxypropanamide
FormulaC36H34N4O4S
Mass618.745
Exact Mass618.2300763
Composition C (69.88%), H (5.54%), N (9.05%), O (10.34%), S (5.18%)
Atom Count79
PI4.52
Smilesc1cccc2c1c(c([nH]2)Sc1[nH]c2c(c1C[C@H](C(=O)NCc1ccccc1)O)cccc2)C[C@@H](O)C(=O)NCc1ccccc1
InChI1S/C36H34N4O4S/c41-31(33(43)37-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-29(25)39-35(27)45-36-28(26-16
-8-10-18-30(26)40-36)20-32(42)34(44)38-22-24-13-5-2-6-14-24/h1-18,31-32,39-42H,19-22H2,(H,37,43)(H,3
8,44)/t31-,32-/m1/s1
InChIKeyCHOZEWLNNHGTOY-ROJLCIKYSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL157952
 
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