Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003922
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5q compound
IUPAC Name3-({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}amino)propanenitrile
FormulaC29H25N5O9
Mass587.5369
Exact Mass587.1652274
Composition C (59.28%), H (4.29%), N (11.92%), O (24.51%)
Atom Count68
PI5.05
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)NCCC#N)c1c([nH]3)c(O)ccc1
InChI1S/C29H25N5O9/c30-8-3-9-31-34-27(41)18-16-11-4-1-6-13(36)20(11)32-21(16)23-17(19(18)28(34)42)12-5-2-
7-14(37)22(12)33(23)29-26(40)25(39)24(38)15(10-35)43-29/h1-2,4-7,15,24-26,29,31-32,35-40H,3,9-10H2/t
15-,24-,25+,26-,29-/m1/s1
InChIKeyHZRSZAGJTWDOMR-FIVAAQFZSA-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 23118758
ChEMBL Link CHEMBL283766
 
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