Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004389
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE31
IUPAC Name2-[(5S)-3-(4-methoxyphenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC19H17N3O2S
Mass351.422
Exact Mass351.1041475
Composition C (64.94%), H (4.88%), N (11.96%), O (9.11%), S (9.12%)
Atom Count42
PI7.65
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccccc1)C1=NC(=O)CS1)OC
InChI1S/C19H17N3O2S/c1-24-15-9-7-13(8-10-15)16-11-17(14-5-3-2-4-6-14)22(21-16)19-20-18(23)12-25-19/h2-10,
17H,11-12H2,1H3/t17-/m0/s1
InChIKeyMHPKGGGCCZJCKM-KRWDZBQOSA-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
Reference22361272
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 -
Drug Bank Link -
ChemSpider Link 28497574
ChEMBL Link -
 
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