Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000865
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article28 compound
IUPAC Name6,7-dimethoxy-4-{[3-(methylsulfanyl)phenyl]amino}quinoline-3-carbonitrile
FormulaC19H17N3O2S
Mass351.422
Exact Mass351.1041475
Composition C (64.94%), H (4.88%), N (11.96%), O (9.11%), S (9.12%)
Atom Count42
PI10.83
Smilesc12c(cc(c(c1)OC)OC)ncc(c2Nc1cccc(c1)SC)C#N
InChI1S/C19H17N3O2S/c1-23-17-8-15-16(9-18(17)24-2)21-11-12(10-20)19(15)22-13-5-4-6-14(7-13)25-3/h4-9,11H,
1-3H3,(H,21,22)
InChIKeyZSJDOQUXSFYFRM-UHFFFAOYSA-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
Reference10966743
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 5328860
Drug Bank Link -
ChemSpider Link 4486022
ChEMBL Link CHEMBL114496
 
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