Bioactive Compound Details

BioIDbio200009
NameMAVACOXIB
ChEMBL IDCHEMBL28527
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34
Molecular Weight (Monoisotopic)385.0508
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
SynonymsMAVACOXIB|PHA 739,521|PHA-739521|TROCOXIL|Trocoxil
SmilesNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1
InchiInChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
Inchi KeyTTZNQDOUNXBMJV-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities11.0
Np Likeness Score-1.69
Records Key['211', '1d', 'MAVACOXIB', 'C04', '5', 'Mavacoxib', 'MAVACOXIB']
Records Name['4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide', '4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide', 'MAVACOXIB', '4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide', '4-[5-(4-Fluoro-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide', 'Mavacoxib', 'MAVACOXIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure