Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003912
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5g 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}-2-(dimethylamino)acetamide
FormulaC30H29N5O10
Mass619.5788
Exact Mass619.1914422
Composition C (58.16%), H (4.72%), N (11.3%), O (25.82%)
Atom Count74
PI7.85
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)CN(C)C
InChI1S/C30H29N5O10/c1-33(2)9-16(39)32-35-28(43)19-17-11-5-3-7-13(37)21(11)31-22(17)24-18(20(19)29(35)44)
12-6-4-8-14(38)23(12)34(24)30-27(42)26(41)25(40)15(10-36)45-30/h3-8,15,25-27,30-31,36-38,40-42H,9-10
H2,1-2H3,(H,32,39)/t15-,25-,26+,27-,30-/m1/s1
InChIKeyIYEREWJPXNDZTQ-FUQLKOENSA-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 23118788
ChEMBL Link CHEMBL278757
 
TOP