Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003906
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5a 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}acetamide
FormulaC28H24N4O10
Mass576.511
Exact Mass576.149243
Composition C (58.33%), H (4.2%), N (9.72%), O (27.75%)
Atom Count66
PI2.96
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)NC(=O)C
InChI1S/C28H24N4O10/c1-9(34)30-32-26(40)17-15-10-4-2-6-12(35)19(10)29-20(15)22-16(18(17)27(32)41)11-5-3-7
-13(36)21(11)31(22)28-25(39)24(38)23(37)14(8-33)42-28/h2-7,14,23-25,28-29,33,35-39H,8H2,1H3,(H,30,34
)/t14-,23-,24+,25-,28-/m1/s1
InChIKeyCVYIUOBOSKMHBG-IGWUZQIMSA-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 23118827
ChEMBL Link CHEMBL428453
 
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