Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000354
Inhibitor ClassThiazepine
Molecule Name in Refrence Article3t compound
IUPAC Name7-[(3-bromophenyl)sulfanyl]-13,14-dimethoxy-2-thia-4,6,9-triazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaene
FormulaC19H16BrN3O2S2
Mass462.383
Exact Mass460.9867308
Composition C (49.35%), H (3.49%), Br (17.28%), N (9.09%), O (6.92%), S (13.87%)
Atom Count43
PI7.07
Smilesc12c(ncnc1Sc1cc(ccc1)Br)Sc1c(CN2)cc(c(c1)OC)OC
InChI1S/C19H16BrN3O2S2/c1-24-14-6-11-9-21-17-18(26-13-5-3-4-12(20)7-13)22-10-23-19(17)27-16(11)8-15(14)25
-2/h3-8,10,21H,9H2,1-2H3
InChIKeyBAQNBDHDQVLTGP-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 11684059
Drug Bank Link -
ChemSpider Link 9858787
ChEMBL Link CHEMBL386456
 
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