Bioactive Compound Details

BioIDbio200555
NameCELECOXIB
ChEMBL IDCHEMBL118
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38
Molecular Weight (Monoisotopic)381.0759
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsCELEBREX|CELECOXIB|Celebra|DFN-15|DFN15|ELYXYB|NSC-719627|NSC-758624|Onsenal|SC-58635
SmilesCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InchiInChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
Inchi KeyRZEKVGVHFLEQIL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets345.0
Bioactivities3508.0
Np Likeness Score-1.57
Records Key['Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', '8', 'Celecoxib', '2, SC-58635', 'Celecoxib', 'Celecoxib', 'Celecoxib (1)', '1i', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', '6 (celecoxib)', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'CLX', 'Celecoxib', 'CLX', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'CLX', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'BDBM11639', 'Celecoxib', 'Celecoxib', 'CLX', 'celecoxib', 'celecoxib', 'Celecoxib', '2', 'celecoxib', 'celecoxib', 'CLX', '260 (Celecoxib)', 'Celecoxib', '1, Celebrex', '4', 'CLX', 'Celecoxib', 'TR-22', 'celecoxib', '1, Celebrex', '20', 'Celecoxib', '1', '1', 'Celecoxib', 'celecoxib', 'celecoxib', 'celecoxib', 'SID535138', '8', 'celecoxib', 'Celecoxib', 'celecoxib', 'celecoxib', 'Celecoxib', 'Celecoxib', 'celecoxib', 'Celecoxib', 'celecoxib', 'celecoxib', 'Celecoxib', 'Celecoxib', '10 (Celecoxib)', 'Celecoxib', '1', 'Celecoxib', 'celecoxib', 'celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'celecoxib', 'CLX', 'celecoxib', 'Celecoxib', '1', 'Celecoxib', '1', 'celecoxib', 'celecoxib', 'celecoxib', 'CLX', 'Celecoxib', 'CLX', 'Celecoxib', 'celecoxib', 'CLX', '2', 'celecoxib', 'celecoxib', '70', 'celecoxib', 'Celecoxib', 'Celecoxib', '1, celecoxib', 'celecoxib', '1', '1, celecoxib', 'celecoxib', 'Celecoxib', 'celecoxib', '1, celecoxib', 'celecoxib', 'Celecoxib', '4', 'celecoxib', 'celecoxib', '1b', 'Celecoxib', 'celecoxib', 'Celecoxib', '3, celecoxib', 'Celecoxib', 'celecoxib', 'celecoxib', 'CLX', 'Celecoxib, Celebrex', 'Celecoxib', 'Celecoxib', 'CELECOXIB', 'celecoxib', 'celecoxib', '7', 'celecoxib', 'celecoxib', '4', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', '6 (Celecoxib)', 'Celecoxib', 'Celecoxib', '2', 'Celecoxib', 'Celecoxib', 'celecoxib', 'Celecoxib', '2', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'celecoxib', 'Celecoxib', 'celecoxib', 'Celecoxib', '5', 'celecoxib', 'CLX', 'celecoxib', 'Celecoxib', '1', 'celecoxib', 'CLX', 'Celecoxib', 'Celecoxib', 'CELECOXIB', 'Celecoxib', 'Celecoxibe', '1', 'Celecoxib', 'CELECOXIB', 'SID144209162', 'Celecoxib', 'Celecoxib', 'CLX', 'celecoxib', 'CLX', 'SID17389545', 'Celecoxib', '1', 'Celecoxib', 'celecoxib', 'Celecoxib', 'Celecoxib', '3', 'Celecoxib', 'CELECOXIB', '1, Celecoxib', 'Celecoxib', 'CELECOXIB', 'Celecoxib', 'CLX', '7', '10, CLX', '1', 'CLX', 'celecoxib', 'CELECOXIB', 'celecoxib', 'Celecoxib', 'celecoxib', 'celecoxib', '16', 'CE', 'Celebrex', 'Celecoxib', 'celecoxib', 'Celecoxib', 'CLX', 'Celecoxib', 'CLX', 'Celecoxib', 'CLX', '4', 'CLX', 'Cele
Records Name['Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', '4-(2-p-Tolyl-5-trifluoromethyl-2H-pyrazol-3-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '1-(4-Methanesulfonyl-phenyl)-5-p-tolyl-3-trifluoromethyl-1H-pyrazole', '5-(4-Methanesulfonyl-phenyl)-4-phenyl-furan-3-one', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide (celecoxib)', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', 'Celecoxib', '4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzene-1-sulfonamide::CHEMBL118::CLX::Celebrex::Celecoxib::US8741944, Comparative Compound::cid_2662', 'Celecoxib', 'Celecoxib', 'Celecoxib', 'celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide (celecoxib)', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide', 'Celecoxib', 'Celecoxib', '4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide', 'celecoxib', 'Celecoxib', '4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide', 'Celecoxib', '4-(5-p-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-b
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure