Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003915
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5j compound
IUPAC Name{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}urea
FormulaC27H23N5O10
Mass577.499
Exact Mass577.144492
Composition C (56.15%), H (4.01%), N (12.13%), O (27.7%)
Atom Count65
PI2.27
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)N
InChI1S/C27H23N5O10/c28-27(41)30-32-24(39)15-13-8-3-1-5-10(34)17(8)29-18(13)20-14(16(15)25(32)40)9-4-2-6-
11(35)19(9)31(20)26-23(38)22(37)21(36)12(7-33)42-26/h1-6,12,21-23,26,29,33-38H,7H2,(H3,28,30,41)/t12
-,21-,22+,23-,26-/m1/s1
InChIKeyMKSGZSLDKHJTBC-RJZBGXQMSA-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 23118703
ChEMBL Link CHEMBL277039
 
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