Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002971
Inhibitor ClassThioxo-indole
Molecule Name in Refrence Article16 compound
IUPAC Namemethyl 4-[(3S)-1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl]butanoate
FormulaC14H17NO2S
Mass263.355
Exact Mass263.0979995
Composition C (63.85%), H (6.51%), N (5.32%), O (12.15%), S (12.18%)
Atom Count35
PI5.76
SmilesN1(C(=S)[C@H](c2c1cccc2)CCCC(=O)OC)C
InChI1S/C14H17NO2S/c1-15-12-8-4-3-6-10(12)11(14(15)18)7-5-9-13(16)17-2/h3-4,6,8,11H,5,7,9H2,1-2H3/t11-/m0
/s1
InChIKeyZPVGVRHNQYXYDD-NSHDSACASA-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
Reference8355247
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 4485710
ChEMBL Link CHEMBL84512
 
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