Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003923
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5r compound
IUPAC Name5,21-dihydroxy-13-[(2-hydroxyethyl)amino]-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-nonaene-12,14-dione
FormulaC28H26N4O10
Mass578.5268
Exact Mass578.1648931
Composition C (58.13%), H (4.53%), N (9.68%), O (27.66%)
Atom Count68
PI5.95
Smilesn1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(=O)n(c(=O)c4c2c2c1c(O)ccc2)NCCO)c1c([nH]3)c(O)ccc1
InChI1S/C28H26N4O10/c33-8-7-29-32-26(40)17-15-10-3-1-5-12(35)19(10)30-20(15)22-16(18(17)27(32)41)11-4-2-6
-13(36)21(11)31(22)28-25(39)24(38)23(37)14(9-34)42-28/h1-6,14,23-25,28-30,33-39H,7-9H2/t14-,23-,24+,
25-,28-/m1/s1
InChIKeyABMZJWIUBWZAMZ-IGWUZQIMSA-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 -
ChEMBL Link CHEMBL20811
 
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