Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003910
Inhibitor ClassPhthalimide
Molecule Name in Refrence Article5e compound
IUPAC Name2-cyano-N-{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}acetamide
FormulaC29H23N5O10
Mass601.5204
Exact Mass601.144492
Composition C (57.9%), H (3.85%), N (11.64%), O (26.6%)
Atom Count67
PI0.5
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#N
InChI1S/C29H23N5O10/c30-8-7-15(38)32-34-27(42)18-16-10-3-1-5-12(36)20(10)31-21(16)23-17(19(18)28(34)43)11
-4-2-6-13(37)22(11)33(23)29-26(41)25(40)24(39)14(9-35)44-29/h1-6,14,24-26,29,31,35-37,39-41H,7,9H2,(
H,32,38)/t14-,24-,25+,26-,29-/m1/s1
InChIKeyPVCBVVOYHUBQJQ-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 23118766
ChEMBL Link CHEMBL278526
 
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