Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003926
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5u compound
IUPAC Name4-({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}amino)benzoic acid
FormulaC33H26N4O11
Mass654.5797
Exact Mass654.1598077
Composition C (60.55%), H (4%), N (8.56%), O (26.89%)
Atom Count74
PI0.91
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)Nc1ccc(C(=O)O)cc1
InChI1S/C33H26N4O11/c38-11-18-27(41)28(42)29(43)32(48-18)36-25-15(4-2-6-17(25)40)20-22-21(19-14-3-1-5-16(
39)23(14)34-24(19)26(20)36)30(44)37(31(22)45)35-13-9-7-12(8-10-13)33(46)47/h1-10,18,27-29,32,34-35,3
8-43H,11H2,(H,46,47)/t18-,27-,28+,29-,32-/m1/s1
InChIKeyRWLBBEHUWVDEBP-NOFHJTDCSA-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 23118782
ChEMBL Link CHEMBL279035
 
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