Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003913
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5h compound
IUPAC NameN-{5,21-dihydroxy-12,14-dioxo-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-nonaen-13-yl}methanesulfonamide
FormulaC27H24N4O11S
Mass612.565
Exact Mass612.1162283
Composition C (52.94%), H (3.95%), N (9.15%), O (28.73%), S (5.23%)
Atom Count67
PI3
Smilesn1(c(=O)c2c(c1=O)c1c(n([C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)c3c1cccc3O)c1c2c2c([nH]1)c(O)ccc2)NS(=O)(=O)C
InChI1S/C27H24N4O11S/c1-43(40,41)29-31-25(38)16-14-9-4-2-6-11(33)18(9)28-19(14)21-15(17(16)26(31)39)10-5-
3-7-12(34)20(10)30(21)27-24(37)23(36)22(35)13(8-32)42-27/h2-7,13,22-24,27-29,32-37H,8H2,1H3/t13-,22-
,23+,24-,27-/m1/s1
InChIKeyRQYPDXKJPLPQNA-ISCYQWKGSA-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 -
Drug Bank Link -
ChemSpider Link 23118880
ChEMBL Link CHEMBL277408
 
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