Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002300
Inhibitor ClassThiazolo-pyrimidine
Molecule Name in Refrence Article6d compound
IUPAC Name4-({7-[(3-bromophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide
FormulaC17H13BrN6O2S2
Mass477.358
Exact Mass475.9724777
Composition C (42.77%), H (2.74%), Br (16.74%), N (17.61%), O (6.7%), S (13.43%)
Atom Count41
PI7.04
Smilesn1c(sc2c1ncnc2Nc1cc(ccc1)Br)Nc1ccc(cc1)S(=O)(=O)N
InChI1S/C17H13BrN6O2S2/c18-10-2-1-3-12(8-10)22-15-14-16(21-9-20-15)24-17(27-14)23-11-4-6-13(7-5-11)28(19,
25)26/h1-9H,(H2,19,25,26)(H2,20,21,22,23,24)
InChIKeyDXXVAXOWZWEBHE-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
Reference19286381
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 44592211
Drug Bank Link -
ChemSpider Link 24694398
ChEMBL Link CHEMBL469354
 
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