Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004322
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article15 compound
IUPAC Nameethyl (2S,3S)-3-[(naphthalen-2-yl)carbamoyl]oxirane-2-carboxylate
FormulaC16H15NO4
Mass285.2946
Exact Mass285.100108
Composition C (67.36%), H (5.3%), N (4.91%), O (22.43%)
Atom Count36
PI2.95
Smiles[C@H]1([C@H](O1)C(=O)Nc1ccc2c(c1)cccc2)C(=O)OCC
InChI1S/C16H15NO4/c1-2-20-16(19)14-13(21-14)15(18)17-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,13-14H,2H2,1H3,(H,
17,18)/t13-,14-/m0/s1
InChIKeyBZZSURQBWUIAHM-KBPBESRZSA-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
Reference20151670
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24649543
ChEMBL Link CHEMBL599251
 
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