Bioactive Compound Details

BioIDbio29766
NameMETAXALONE
ChEMBL IDCHEMBL1079604
Molecular FormulaC12H15NO3
Molecular Weight221.26
Molecular Weight (Monoisotopic)221.1052
TypeSmall molecule
Max PhasePhase 4
Target IDTar9
Target NameNeurotensin receptor type 1 (NTSR1)
SynonymsAHR-438|FLEXURA|METAXALONA|METAXALONE|NSC-170959|SKELAXIN|ZORANE
SmilesCc1cc(C)cc(OCC2CNC(=O)O2)c1
InchiInChI=1S/C12H15NO3/c1-8-3-9(2)5-10(4-8)15-7-11-6-13-12(14)16-11/h3-5,11H,6-7H2,1-2H3,(H,13,14)
Inchi KeyIMWZZHHPURKASS-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets40.0
Bioactivities132.0
Np Likeness Score0.27
Records Key['METAXALONE', 'SID26748938', 'METAXALONE', 'SID144204981', 'Metaxalone', 'Metaxalone', 'SID170465241', 'Metaxalone脢', 'METAXALONE', 'METAXALONE', 'metaxalone', 'METAXALONE', 'COVC-1214983954', 'METAXALONE', 'Metaxalone', 'Metaxalone脗', 'METAXALONE', 'METAXALONE', 'METAXALONE', 'METAXALONE', 'metaxalone']
Records Name['METAXALONE', 'SID26748938', 'METAXALONE', 'SID144204981', 'Metaxalone', 'Metaxalone', 'SID170465241', 'Metaxalone脢', 'METAXALONE', 'METAXALONE', 'metaxalone', 'METAXALONE', 'METAXALONE', 'METAXALONE', 'Metaxalone', 'Metaxalone脗', 'METAXALONE', 'METAXALONE', 'METAXALONE', 'METAXALONE', 'metaxalone']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure