Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004404
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE18
IUPAC Name2-[(5S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC19H16ClN3O2S
Mass385.867
Exact Mass385.0651752
Composition C (59.14%), H (4.18%), Cl (9.19%), N (10.89%), O (8.29%), S (8.31%)
Atom Count42
PI7.52
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)OC)C1=NC(=O)CS1)Cl
InChI1S/C19H16ClN3O2S/c1-25-15-8-4-13(5-9-15)17-10-16(12-2-6-14(20)7-3-12)22-23(17)19-21-18(24)11-26-19/h
2-9,17H,10-11H2,1H3/t17-/m0/s1
InChIKeyBGGNHDDNOKPDMN-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 28498892
ChEMBL Link -
 
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