Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001641
Inhibitor ClassTyrphostin
Molecule Name in Refrence Article13 compound
IUPAC Name(2E)-3-[3-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide
FormulaC19H17ClN2O3S
Mass388.868
Exact Mass388.0648408
Composition C (58.68%), H (4.41%), Cl (9.12%), N (7.2%), O (12.34%), S (8.25%)
Atom Count43
PI3.86
Smilesc1(cc(c(c(c1)OC)O)CSCc1ccc(cc1)Cl)/C=C(C#N)/C(=O)N
InChI1S/C19H17ClN2O3S/c1-25-17-8-13(6-14(9-21)19(22)24)7-15(18(17)23)11-26-10-12-2-4-16(20)5-3-12/h2-8,23
H,10-11H2,1H3,(H2,22,24)/b14-6+
InChIKeyLSTSYXGQPRASQW-MKMNVTDBSA-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
Reference7902440
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 44345633
Drug Bank Link -
ChemSpider Link 23201836
ChEMBL Link CHEMBL119923
 
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