Bioactive Compound Details

BioIDbio200417
NameVIMNERIXIN
ChEMBL IDCHEMBL5095217
Molecular FormulaC19H25FN4O5S2
Molecular Weight472.56
Molecular Weight (Monoisotopic)472.125
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsAZD 4721|AZD-4721|AZD4721|RIST-4721|RIST4721|VIMNERIXIN|VIMNERIXINA|VIMNERIXINE
SmilesCC1CN(S(=O)(=O)Nc2cc(O[C@H](C)[C@@H](O)CO)nc(SCc3ccc(F)cc3)n2)C1
InchiInChI=1S/C19H25FN4O5S2/c1-12-8-24(9-12)31(27,28)23-17-7-18(29-13(2)16(26)10-25)22-19(21-17)30-11-14-3-5-15(20)6-4-14/h3-7,12-13,16,25-26H,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m1/s1
Inchi KeyUCCNQCNIPRKLRP-CJNGLKHVSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score-1.25
Records Key['VIMNERIXIN', 'VIMNERIXIN', 'AZD4721']
Records Name['VIMNERIXIN', 'VIMNERIXIN', 'N-(6-(((2R,3S)-3,4-dihydroxybutan-2-yl)oxy)-2-((4-fluorobenzyl)thio)pyrimidin-4-yl)-3-methylazetidine-1-sulfonamide']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure