Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003919
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5n compound
IUPAC Name13-(ethylamino)-5,21-dihydroxy-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
FormulaC28H26N4O9
Mass562.5274
Exact Mass562.1699785
Composition C (59.78%), H (4.66%), N (9.96%), O (25.6%)
Atom Count67
PI6.2
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)NCC)c1c([nH]3)c(O)ccc1
InChI1S/C28H26N4O9/c1-2-29-32-26(39)17-15-10-5-3-7-12(34)19(10)30-20(15)22-16(18(17)27(32)40)11-6-4-8-13(
35)21(11)31(22)28-25(38)24(37)23(36)14(9-33)41-28/h3-8,14,23-25,28-30,33-38H,2,9H2,1H3/t14-,23-,24+,
25-,28-/m1/s1
InChIKeyWZEFYLPNTCWBLF-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 23118629
ChEMBL Link CHEMBL277011
 
TOP