Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004398
Inhibitor ClassPyrazolyl-thiazolinone
Molecule Name in Refrence ArticleE23
IUPAC Name2-[(5S)-3-(4-bromophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4,5-dihydro-1,3-thiazol-4-one
FormulaC19H16BrN3OS
Mass414.319
Exact Mass413.0197455
Composition C (55.08%), H (3.89%), Br (19.29%), N (10.14%), O (3.86%), S (7.74%)
Atom Count41
PI7.58
Smilesc1c(ccc(c1)C1=NN([C@@H](C1)c1ccc(cc1)C)C1=NC(=O)CS1)Br
InChI1S/C19H16BrN3OS/c1-12-2-4-14(5-3-12)17-10-16(13-6-8-15(20)9-7-13)22-23(17)19-21-18(24)11-25-19/h2-9,
17H,10-11H2,1H3/t17-/m0/s1
InChIKeyUIDCZJGQYLGZEO-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 28496527
ChEMBL Link -
 
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