Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002297
Inhibitor ClassThiazolo-pyrimidine
Molecule Name in Refrence Article6a compound
IUPAC Name4-({7-[(2,6-difluorophenyl)amino]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl}amino)benzene-1-sulfonamide
FormulaC17H12F2N6O2S2
Mass434.443
Exact Mass434.0431214
Composition C (47%), H (2.78%), F (8.75%), N (19.34%), O (7.37%), S (14.76%)
Atom Count41
PI5.66
Smilesn1c(sc2c1ncnc2Nc1c(cccc1F)F)Nc1ccc(cc1)S(=O)(=O)N
InChI1S/C17H12F2N6O2S2/c18-11-2-1-3-12(19)13(11)24-15-14-16(22-8-21-15)25-17(28-14)23-9-4-6-10(7-5-9)29(2
0,26)27/h1-8H,(H2,20,26,27)(H2,21,22,23,24,25)
InChIKeyHGZQTJZFKROIJB-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 16037278
Drug Bank Link -
ChemSpider Link 13165869
ChEMBL Link CHEMBL513716
 
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