Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001427
Inhibitor ClassThieno-pyrimidine
Molecule Name in Refrence Article21 compound
IUPAC Name2-[({5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]furan-2-yl}methyl)amino]acetonitrile
FormulaC26H19ClFN5O2S
Mass519.978
Exact Mass519.0932015
Composition C (60.06%), H (3.68%), Cl (6.82%), F (3.65%), N (13.47%), O (6.15%), S (6.17%)
Atom Count55
PI9.38
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c2c(ncn1)cc(s2)c1ccc(o1)CNCC#N
InChI1S/C26H19ClFN5O2S/c27-20-11-18(4-6-22(20)34-14-16-2-1-3-17(28)10-16)33-26-25-21(31-15-32-26)12-24(36
-25)23-7-5-19(35-23)13-30-9-8-29/h1-7,10-12,15,30H,9,13-14H2,(H,31,32,33)
InChIKeyNXSMOWZBERTEAU-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
Reference19111461
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24695720
ChEMBL Link CHEMBL473429
 
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