Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000344
Inhibitor ClassThiazepine
Molecule Name in Refrence Article3j compound
IUPAC NameN-(3-chloro-4-fluorophenyl)-13,14-dimethoxy-5-methyl-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-7-amine
FormulaC20H18ClFN4O2S
Mass432.899
Exact Mass432.0823024
Composition C (55.49%), H (4.19%), Cl (8.19%), F (4.39%), N (12.94%), O (7.39%), S (7.41%)
Atom Count47
PI8.96
Smilesc12c(nc(nc1Nc1cc(c(cc1)F)Cl)C)Sc1c(CN2)cc(c(c1)OC)OC
InChI1S/C20H18ClFN4O2S/c1-10-24-19(26-12-4-5-14(22)13(21)7-12)18-20(25-10)29-17-8-16(28-3)15(27-2)6-11(17
)9-23-18/h4-8,23H,9H2,1-3H3,(H,24,25,26)
InChIKeyPLOYVPWSBOMPMB-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
Reference16887347
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 11582856
Drug Bank Link -
ChemSpider Link 9757622
ChEMBL Link CHEMBL214744
 
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