Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003908
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5c 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}benzamide
FormulaC33H26N4O10
Mass638.5803
Exact Mass638.1648931
Composition C (62.07%), H (4.1%), N (8.77%), O (25.05%)
Atom Count73
PI3.09
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)c1ccccc1
InChI1S/C33H26N4O10/c38-12-18-27(41)28(42)29(43)33(47-18)36-25-15(9-5-11-17(25)40)20-22-21(19-14-8-4-10-1
6(39)23(14)34-24(19)26(20)36)31(45)37(32(22)46)35-30(44)13-6-2-1-3-7-13/h1-11,18,27-29,33-34,38-43H,
12H2,(H,35,44)/t18-,27-,28+,29-,33-/m1/s1
InChIKeyRSQRSARUKHGSAH-ZWGPYPJNSA-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 23118826
ChEMBL Link CHEMBL277432
 
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