Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003907
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5b compound
IUPAC NameN-{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}propanamide
FormulaC29H26N4O10
Mass590.5375
Exact Mass590.1648931
Composition C (58.98%), H (4.44%), N (9.49%), O (27.09%)
Atom Count69
PI2.96
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)CC
InChI1S/C29H26N4O10/c1-2-15(37)31-33-27(41)18-16-10-5-3-7-12(35)20(10)30-21(16)23-17(19(18)28(33)42)11-6-
4-8-13(36)22(11)32(23)29-26(40)25(39)24(38)14(9-34)43-29/h3-8,14,24-26,29-30,34-36,38-40H,2,9H2,1H3,
(H,31,37)/t14-,24-,25+,26-,29-/m1/s1
InChIKeyKJJSWCWDZTUVGL-GZVOYCJTSA-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 23118812
ChEMBL Link CHEMBL278101
 
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