Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003909
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5d 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}pyridine-2-carboxamide
FormulaC32H25N5O10
Mass639.5684
Exact Mass639.160142
Composition C (60.09%), H (3.94%), N (10.95%), O (25.02%)
Atom Count72
PI4.94
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)c1ncccc1
InChI1S/C32H25N5O10/c38-11-17-26(41)27(42)28(43)32(47-17)36-24-13(6-4-9-16(24)40)19-21-20(18-12-5-3-8-15(
39)22(12)34-23(18)25(19)36)30(45)37(31(21)46)35-29(44)14-7-1-2-10-33-14/h1-10,17,26-28,32,34,38-43H,
11H2,(H,35,44)/t17-,26-,27+,28-,32-/m1/s1
InChIKeyMXIBQMZPEMEWMG-YOSUWGJFSA-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 23118825
ChEMBL Link CHEMBL20255
 
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