Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003914
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5i 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}-4-methylbenzene-1-sulfonamide
FormulaC33H28N4O11S
Mass688.661
Exact Mass688.1475284
Composition C (57.55%), H (4.1%), N (8.14%), O (25.56%), S (4.66%)
Atom Count77
PI1.32
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)c1ccc(cc1)C
InChI1S/C33H28N4O11S/c1-13-8-10-14(11-9-13)49(46,47)35-37-31(44)22-20-15-4-2-6-17(39)24(15)34-25(20)27-21
(23(22)32(37)45)16-5-3-7-18(40)26(16)36(27)33-30(43)29(42)28(41)19(12-38)48-33/h2-11,19,28-30,33-35,
38-43H,12H2,1H3/t19-,28-,29+,30-,33-/m1/s1
InChIKeyUWOPKOSSRYHQNU-JDCTZXEMSA-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 23118879
ChEMBL Link CHEMBL21267
 
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