Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003904
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article3a compound
IUPAC Name13-amino-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
FormulaC26H22N4O9
Mass534.4743
Exact Mass534.1386783
Composition C (58.43%), H (4.15%), N (10.48%), O (26.94%)
Atom Count61
PI5.37
Smilesn1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(c2c2c1c(O)ccc2)c(=O)n(c4=O)N)c1c([nH]3)c(O)ccc1
InChI1S/C26H22N4O9/c27-30-24(37)15-13-8-3-1-5-10(32)17(8)28-18(13)20-14(16(15)25(30)38)9-4-2-6-11(33)19(9
)29(20)26-23(36)22(35)21(34)12(7-31)39-26/h1-6,12,21-23,26,28,31-36H,7,27H2/t12-,21-,22+,23-,26-/m1/
s1
InChIKeyABNDCQPCLDVQIJ-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 8612565
ChEMBL Link -
 
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