Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003903
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article2 (ED-110)
IUPAC Name5,21-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
FormulaC26H21N3O9
Mass519.4596
Exact Mass519.1277793
Composition C (60.12%), H (4.07%), N (8.09%), O (27.72%)
Atom Count59
PI2.61
Smilesn1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(c2c2c1c(O)ccc2)c(=O)[nH]c4=O)c1c([nH]3)c(O)ccc1
InChI1S/C26H21N3O9/c30-7-12-21(33)22(34)23(35)26(38-12)29-19-9(4-2-6-11(19)32)14-16-15(24(36)28-25(16)37)
13-8-3-1-5-10(31)17(8)27-18(13)20(14)29/h1-6,12,21-23,26-27,30-35H,7H2,(H,28,36,37)/t12-,21-,22+,23-
,26-/m1/s1
InChIKeyBSQFHYQBCYIAKE-RJZBGXQMSA-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
Reference10340602
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesPKC |
Pub Chem Link 9827992
Drug Bank Link -
ChemSpider Link 8003733
ChEMBL Link CHEMBL21108
 
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