Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001621
Inhibitor ClassPyrimidine
Molecule Name in Refrence Article15d compound
IUPAC Name(3R,5S)-5-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)thieno[3,2-d]pyrimidin-6-yl]ethynyl}pyrrolidin-3-yl propanoate
FormulaC28H24ClFN4O3S
Mass551.032
Exact Mass550.1241673
Composition C (61.03%), H (4.39%), Cl (6.43%), F (3.45%), N (10.17%), O (8.71%), S (5.82%)
Atom Count62
PI11.48
Smilesn1cnc2c(c1Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)sc(c2)C#C[C@H]1NC[C@@H](C1)OC(=O)CC
InChI1S/C28H24ClFN4O3S/c1-2-26(35)37-21-11-19(31-14-21)6-8-22-13-24-27(38-22)28(33-16-32-24)34-20-7-9-25(
23(29)12-20)36-15-17-4-3-5-18(30)10-17/h3-5,7,9-10,12-13,16,19,21,31H,2,11,14-15H2,1H3,(H,32,33,34)/
t19-,21-/m1/s1
InChIKeyMKBPBVLIFVBKCV-TZIWHRDSSA-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
Reference18842405
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 44580951
Drug Bank Link -
ChemSpider Link 24709552
ChEMBL Link CHEMBL500381
 
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