Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003486
Inhibitor Classindolone
Molecule Name in Refrence Article35 compound
IUPAC Name7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-(2-methylpropyl)-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
FormulaC27H29N5O2
Mass455.5515
Exact Mass455.2321252
Composition C (71.19%), H (6.42%), N (15.37%), O (7.02%)
Atom Count63
PI9.01
Smilesc1(ccc2c(c1)c1c(n2CC(C)C)c2c(c3c1CNC3=O)c1c(CC2)nn(c1)C)/C(=N/OC)/C
InChI1S/C27H29N5O2/c1-14(2)12-32-22-9-6-16(15(3)30-34-5)10-18(22)24-19-11-28-27(33)25(19)23-17(26(24)32)7
-8-21-20(23)13-31(4)29-21/h6,9-10,13-14H,7-8,11-12H2,1-5H3,(H,28,33)/b30-15+
InChIKeyUGGGUUOMJJSLOR-FJEPWZHXSA-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
Reference18308565
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesc-Src |
Pub Chem Link 25022520
Drug Bank Link -
ChemSpider Link 23314140
ChEMBL Link CHEMBL258015
 
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