Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003911
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5f 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}-2-hydroxyacetamide
FormulaC28H24N4O11
Mass592.5104
Exact Mass592.1441576
Composition C (56.76%), H (4.08%), N (9.46%), O (29.7%)
Atom Count67
PI2.97
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)CO
InChI1S/C28H24N4O11/c33-7-13-23(38)24(39)25(40)28(43-13)31-21-10(4-2-6-12(21)36)16-18-17(26(41)32(27(18)4
2)30-14(37)8-34)15-9-3-1-5-11(35)19(9)29-20(15)22(16)31/h1-6,13,23-25,28-29,33-36,38-40H,7-8H2,(H,30
,37)/t13-,23-,24+,25-,28-/m1/s1
InChIKeyRCWJXKICXPJLAU-LJPQDKIJSA-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 23118789
ChEMBL Link CHEMBL21221
 
TOP