Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003871
Inhibitor ClassThiazolo-thieno-pyrimidine
Molecule Name in Refrence Article76 compound
IUPAC NameN-(3-bromophenyl)-3,7-dithia-5,10,12-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),4,9,11-pentaen-9-amine
FormulaC13H7BrN4S2
Mass363.255
Exact Mass361.9295503
Composition C (42.98%), H (1.94%), Br (22%), N (15.42%), S (17.65%)
Atom Count27
PI7.49
Smilesc12c(sc3c1ncnc3Nc1cc(Br)ccc1)ncs2
InChI1S/C13H7BrN4S2/c14-7-2-1-3-8(4-7)18-12-10-9(15-5-16-12)11-13(20-10)17-6-19-11/h1-6H,(H,15,16,18)
InChIKeyRLAGSKIPOCVMQK-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 5328424
Drug Bank Link -
ChemSpider Link 4485589
ChEMBL Link CHEMBL1184382
 
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