Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003173
Inhibitor ClassIndolone
Molecule Name in Refrence Article29 compound
IUPAC Name(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-(1H-imidazol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one
FormulaC19H15N3O3
Mass333.3407
Exact Mass333.1113414
Composition C (68.46%), H (4.54%), N (12.61%), O (14.4%)
Atom Count40
PI8.06
Smilesc1c(cc(c(c1)O)OC)c1ccc2c(c1)NC(=O)/C/2=Cc1ncc[nH]1
InChI1S/C19H15N3O3/c1-25-17-9-12(3-5-16(17)23)11-2-4-13-14(10-18-20-6-7-21-18)19(24)22-15(13)8-11/h2-10,2
3H,1H3,(H,20,21)(H,22,24)/b14-10-
InChIKeyMKJOYZLSTNIBNH-UVTDQMKNSA-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
Reference16242328
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesCDC2 | Chk1 | Chk2 | PKC | SGK | SRC | Tie2 | ALL
Pub Chem Link 23267385
Drug Bank Link -
ChemSpider Link 23265166
ChEMBL Link CHEMBL199299
 
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