Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003861
Inhibitor ClassBenzo-thieno-pyrimidine
Molecule Name in Refrence Article66 compound
IUPAC NameN-(3-bromophenyl)-11-methoxy-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
FormulaC17H12BrN3OS
Mass386.266
Exact Mass384.9884454
Composition C (52.86%), H (3.13%), Br (20.69%), N (10.88%), O (4.14%), S (8.3%)
Atom Count35
PI8.67
Smilesc12sc3c(c1ncnc2Nc1cc(Br)ccc1)ccc(c3)OC
InChI1S/C17H12BrN3OS/c1-22-12-5-6-13-14(8-12)23-16-15(13)19-9-20-17(16)21-11-4-2-3-10(18)7-11/h2-9H,1H3,(
H,19,20,21)
InChIKeyJXAMULRNCBZFDI-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
Reference10639288
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 5328414
Drug Bank Link -
ChemSpider Link 4485579
ChEMBL Link CHEMBL346846
 
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