Detailed information for compound 252658

Basic information

Technical information
  • TDR Targets ID: 252658
  • Name: 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyraz ol-1-yl]-2-(hydroxymethyl)benzenesulfonamide
  • MW: 476.268 | Formula: C17H13BrF3N3O3S
  • H donors: 2 H acceptors: 4 LogP: 2.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1cc(ccc1S(=O)(=O)N)n1nc(cc1c1ccc(cc1)Br)C(F)(F)F
  • InChi: 1S/C17H13BrF3N3O3S/c18-12-3-1-10(2-4-12)14-8-16(17(19,20)21)23-24(14)13-5-6-15(28(22,26)27)11(7-13)9-25/h1-8,25H,9H2,(H2,22,26,27)
  • InChiKey: NSHHMWCQJXIHES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)-1-pyrazolyl]-2-(hydroxymethyl)benzenesulfonamide
  • 4-[5-(4-bromophenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-methylol-benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi hypothetical protein 0.0019 0.0054 0.0054
Schistosoma mansoni flap endonuclease-1 0.0026 0.0237 0.0523
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.1885 0.186
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0068 0.138 0.1354
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Brugia malayi Cell death protein 3 precursor 0.0029 0.0326 0.0326
Schistosoma mansoni blooms syndrome DNA helicase 0.0039 0.0597 0.1315
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.2319 0.5106
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0096 0.0146
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Onchocerca volvulus Protein ultraspiracle homolog 0.0036 0.0508 0.219
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0185 0.4542 0.4525
Schistosoma mansoni peroxidasin 0.0032 0.0404 0.0889
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0404 0.0404
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0814 0.0787
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0889 0.1958
Schistosoma mansoni steroid hormone receptor ad4bp 0.0036 0.0508 0.1118
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0573 0.1262
Onchocerca volvulus 0.0036 0.0508 0.219
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0185 0.4542 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.2319 0.2319
Trypanosoma cruzi hypothetical protein, conserved 0.0231 0.5791 0.5778
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0185 0.4542 0.5
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.003 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0036 0.0508 0.0508
Loa Loa (eye worm) doublecortin family protein 0.0023 0.0172 0.0172
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0266 0.0236
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0036 0.0508 0.1118
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0508 0.1118
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0266 0.0409
Entamoeba histolytica phosphoglycerate kinase, putative 0.0185 0.4542 1
Echinococcus granulosus flap endonuclease 1 0.0028 0.0311 0.0684
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Onchocerca volvulus 0.0032 0.0404 0.1742
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Brugia malayi ecdysteroid receptor 0.0036 0.0508 0.0508
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Leishmania major DNA polymerase eta, putative 0.0046 0.0778 0.075
Mycobacterium ulcerans hypothetical protein 0.0027 0.0266 0.0522
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0036 0.0508 0.0508
Onchocerca volvulus 0.0032 0.0404 0.1742
Trypanosoma brucei DNA polymerase IV, putative 0.0079 0.1691 0.1666
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0096 0.0146
Mycobacterium tuberculosis Conserved protein 0.0027 0.0266 0.0409
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0054 0.012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0508 0.1118
Schistosoma mansoni phosphoglycerate kinase 0.0185 0.4542 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0266 0.0522
Trypanosoma cruzi metacaspase, putative 0.0029 0.0326 0.0296
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0058 0.1104 0.2431
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.2319 0.2296
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0258 0.0228
Mycobacterium ulcerans hypothetical protein 0.0027 0.0266 0.0522
Schistosoma mansoni RAR-like nuclear receptor 0.0036 0.0508 0.1118
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0058 0.1104 0.2431
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0036 0.0508 0.1118
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.2319 0.2319
Brugia malayi hypothetical protein 0.0023 0.0172 0.0172
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0065 0.1297 0.2855
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0083 0.0053
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0311 0.0511
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0404 0.0404
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0036 0.0508 0.1118
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Brugia malayi hypothetical protein 0.0038 0.0573 0.0573
Echinococcus granulosus caspase 2 0.0029 0.0326 0.0717
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0889 0.0889
Onchocerca volvulus Peroxidase homolog 0.0032 0.0404 0.1742
Echinococcus multilocularis Polycystic kidney disease protein 0.0023 0.0172 0.0378
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0889 0.0889
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.1885 0.4111
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0508 0.0508
Echinococcus granulosus Polycystic kidney disease protein 0.0023 0.0172 0.0378
Brugia malayi nuclear receptor NHR-88 0.0036 0.0508 0.0508
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0027 0.0266 0.0522
Leishmania major metacaspase, putative 0.0029 0.0326 0.0296
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.081 0.0783
Schistosoma mansoni lipoxygenase 0.0065 0.1297 0.2855
Echinococcus granulosus FTZ F1 alpha 0.0036 0.0508 0.1118
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0266 0.0236
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0311 0.0282
Loa Loa (eye worm) hypothetical protein 0.0029 0.0326 0.0326
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1555 0.3424
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Trypanosoma brucei Metacaspase-4 0.0029 0.0326 0.0296
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0311 0.0282
Schistosoma mansoni caspase-3 (C14 family) 0.0029 0.0326 0.0717
Brugia malayi nuclear hormone receptor 0.0036 0.0508 0.0508
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Trypanosoma cruzi metacaspase, putative 0.0029 0.0326 0.0296
Trichomonas vaginalis DNA polymerase eta, putative 0.0087 0.1885 0.404
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.2319 0.2296
Schistosoma mansoni caspase-7 (C14 family) 0.0029 0.0326 0.0717
Schistosoma mansoni DNA helicase recq5 0.002 0.0096 0.0211
Schistosoma mansoni caspase-7 (C14 family) 0.0029 0.0326 0.0717
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0058 0.1104 0.1104
Loa Loa (eye worm) hypothetical protein 0.0029 0.0326 0.0326
Loa Loa (eye worm) hypothetical protein 0.0185 0.4542 0.4542
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0889 0.1958
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0083 0.0183
Chlamydia trachomatis phosphoglycerate kinase 0.0185 0.4542 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0036 0.0508 0.1118
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0096 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0036 0.0508 0.0508
Schistosoma mansoni ap endonuclease 0.002 0.0083 0.0183
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0043 0.0716 0.152
Brugia malayi Blistered cuticle protein 3 0.0032 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Trypanosoma brucei metacaspase MCA2 0.0029 0.0326 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0036 0.0508 0.0508
Schistosoma mansoni loxhd1 0.0023 0.0172 0.0378
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0311 0.0282
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0185 0.4542 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0083 0.0083
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0036 0.0508 0.0508
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0266 0.0585
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0185 0.4542 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0172 0.0378
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0033 0.0436 0.0899
Leishmania major DNA polymerase eta, putative 0.0085 0.1852 0.1827
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0266 0.0236
Onchocerca volvulus Cell death protein 3 homolog 0.0029 0.0326 0.1404
Brugia malayi Bloom's syndrome protein homolog 0.0049 0.0877 0.0877
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0508 0.0508
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0036 0.0508 0.1118
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Onchocerca volvulus 0.0023 0.0172 0.074
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0083 0.0118
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Leishmania major C-8 sterol isomerase-like protein 0.0387 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.1885 0.4111
Brugia malayi RNA binding protein 0.0074 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Schistosoma mansoni lipoxygenase 0.0023 0.0172 0.0378
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0083 0.0053
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.0224 0.0429
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0054 0.012
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0054 0.0054
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0036 0.0508 0.0508
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0054 0.0054
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.1885 0.186
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.2319 0.5106
Brugia malayi ImpB/MucB/SamB family protein 0.0085 0.1852 0.1852
Echinococcus granulosus caspase 0.0029 0.0326 0.0717
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0919 0.1875
Brugia malayi hypothetical protein 0.0019 0.0054 0.0054
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0054 0.012
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0404 0.0404
Leishmania major DNA polymerase kappa, putative 0.0065 0.1298 0.1272
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0258 0.0228
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1555 0.3424
Brugia malayi nuclear receptor RXR 0.0019 0.0054 0.0054
Brugia malayi hypothetical protein 0.0032 0.0404 0.0404
Schistosoma mansoni hypothetical protein 0.0023 0.0172 0.0378
Trypanosoma brucei phosphoglycerate kinase 0.0068 0.138 0.1354
Brugia malayi Steroid receptor seven-up type 2 0.0036 0.0508 0.0508
Entamoeba histolytica deoxycytidyl transferase, putative 0.0058 0.1104 0.229
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Brugia malayi steroid hormone receptor 0.0036 0.0508 0.0508
Echinococcus multilocularis caspase 2 0.0029 0.0326 0.0717
Loa Loa (eye worm) RecQ helicase 0.0049 0.0877 0.0877
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.0326 0.0655
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0083 0.0118
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0036 0.0508 0.1118
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Echinococcus multilocularis caspase 8 0.0029 0.0326 0.0717
Echinococcus multilocularis thyroid hormone receptor alpha 0.0036 0.0508 0.1118
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0814 0.0787
Trypanosoma brucei metacaspase MCA3 0.0029 0.0326 0.0296
Trypanosoma brucei unspecified product 0.004 0.0621 0.0593
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0046 0.0778 0.1657
Trypanosoma cruzi hypothetical protein, conserved 0.0231 0.5791 0.5778
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0311 0.0623
Brugia malayi RNA recognition motif domain containing protein 0.0074 0.1555 0.1555
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Schistosoma mansoni nuclear hormone receptor 0.0036 0.0508 0.1118
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0096 0.0096
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.2319 0.5015
Trypanosoma brucei phosphoglycerate kinase 0.0185 0.4542 0.4525
Entamoeba histolytica recQ family helicase, putative 0.0026 0.0258 0.0391
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0258 0.0391
Trypanosoma cruzi polo-like protein kinase, putative 0.0103 0.2319 0.2296
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0508 0.0508
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.1885 0.186
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0087 0.1885 0.404
Echinococcus multilocularis tar DNA binding protein 0.0074 0.1555 0.3424
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0172
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0036 0.0508 0.1118
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Loa Loa (eye worm) TAR-binding protein 0.0074 0.1555 0.1555
Toxoplasma gondii exonuclease III APE 0.002 0.0083 0.0118
Schistosoma mansoni coup transcription factor 0.0036 0.0508 0.1118
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0387 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0889 0.1958
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0036 0.0508 0.219
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0172 0.0378
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.1885 0.186
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0036 0.0508 0.1118
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0096 0.0211
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0508 0.1118
Trypanosoma cruzi metacaspase 5, putative 0.0029 0.0326 0.0296
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0036 0.0508 0.0508
Entamoeba histolytica hypothetical protein 0.0038 0.0573 0.1099
Loa Loa (eye worm) hypothetical protein 0.0085 0.1852 0.1852
Schistosoma mansoni peroxidasin 0.0032 0.0404 0.0889
Echinococcus granulosus dna polymerase kappa 0.0087 0.1885 0.415
Trypanosoma cruzi DNA polymerase eta, putative 0.0085 0.1852 0.1827
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0919 0.1875
Brugia malayi Peroxidasin 0.0032 0.0404 0.0404
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0058 0.1104 0.2431
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0889 0.1958
Trypanosoma brucei phosphoglycerate kinase 0.0185 0.4542 0.4525
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0029 0.0326 0.0717
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0311 0.0511
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0036 0.0508 0.1118
Schistosoma mansoni ap endonuclease 0.002 0.0083 0.0183
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0036 0.0508 0.1118
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.1298 0.1272
Schistosoma mansoni kinase 0.0052 0.0956 0.2104
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0185 0.4542 1
Loa Loa (eye worm) hypothetical protein 0.015 0.3593 0.3593
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0266 0.0585
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0404 0.0404
Plasmodium falciparum flap endonuclease 1 0.0028 0.0311 0.0623
Trypanosoma brucei DNA polymerase eta, putative 0.0085 0.1852 0.1827
Echinococcus multilocularis peroxidasin 0.0032 0.0404 0.0889
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0814 0.0787
Entamoeba histolytica hypothetical protein 0.0038 0.0573 0.1099
Echinococcus multilocularis caspase 0.0029 0.0326 0.0717
Brugia malayi TAR-binding protein 0.0074 0.1555 0.1555
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0065 0.1298 0.2724
Echinococcus granulosus tar DNA binding protein 0.0074 0.1555 0.3424
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0054 0.012
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0054
Trypanosoma brucei metacaspase 5, putative 0.0029 0.0326 0.0296
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0096 0.0211
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0036 0.0508 0.1118
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Brugia malayi Phosphoglycerate kinase 0.0185 0.4542 0.4542
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0036 0.0508 0.0508
Trypanosoma brucei polo-like protein kinase 0.0103 0.2319 0.2296
Echinococcus granulosus bloom syndrome protein 0.0049 0.0877 0.1932
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0036 0.0508 0.1118
Leishmania major hypothetical protein, conserved 0.0231 0.5791 0.5778
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.1885 0.186
Schistosoma mansoni retinoic acid receptor RXR 0.0036 0.0508 0.1118
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0083 0.0053
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0054
Echinococcus multilocularis phosphoglycerate kinase 1 0.0185 0.4542 1
Schistosoma mansoni hypothetical protein 0.0038 0.0573 0.1262
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Plasmodium vivax phosphoglycerate kinase, putative 0.0185 0.4542 1
Schistosoma mansoni phosphoglycerate kinase 0.0185 0.4542 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Echinococcus granulosus ecdysone induced protein 78C 0.0036 0.0508 0.1118
Entamoeba histolytica hypothetical protein 0.0038 0.0573 0.1099
Echinococcus multilocularis RUN 0.0023 0.0172 0.0378
Loa Loa (eye worm) hypothetical protein 0.002 0.0096 0.0096
Trypanosoma brucei C-8 sterol isomerase, putative 0.0387 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0036 0.0508 0.0508
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0065 0.1297 0.2855
Onchocerca volvulus Peroxidase homolog 0.0032 0.0404 0.1742
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0404 0.0404
Treponema pallidum phosphoglycerate kinase 0.0185 0.4542 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.0326 0.0655
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0889 0.1958
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0036 0.0508 0.1118
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0326 0.0544
Trypanosoma brucei phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Onchocerca volvulus 0.0032 0.0404 0.1742
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0029 0.0326 0.0655
Echinococcus multilocularis bloom syndrome protein 0.0049 0.0877 0.1932
Brugia malayi Nuclear hormone receptor-like 1 0.0036 0.0508 0.0508
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0446 0.0923
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0311 0.0623
Trypanosoma cruzi metacaspase 5, putative 0.0029 0.0326 0.0296
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0054 0.0054
Plasmodium falciparum phosphoglycerate kinase 0.0185 0.4542 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0889 0.1958
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0068 0.138 0.1354
Schistosoma mansoni terminal deoxycytidyl transferase 0.0058 0.1104 0.2431
Leishmania major phosphoglycerate kinase C, glycosomal 0.0185 0.4542 0.4525
Echinococcus multilocularis ecdysone induced protein 78C 0.0036 0.0508 0.1118
Plasmodium vivax metacaspase 1, putative 0.0029 0.0326 0.0655
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0083 0.0118
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0096 0.0211
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0889 0.1958
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Schistosoma mansoni polycystin 1-related 0.0023 0.0172 0.0378
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Onchocerca volvulus 0.0023 0.0172 0.074
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0029 0.0326 0.0326
Onchocerca volvulus Chorion peroxidase homolog 0.0032 0.0404 0.1742
Giardia lamblia DINP protein human, muc B family 0.0065 0.1298 0.281
Plasmodium falciparum metacaspase 1 0.0029 0.0326 0.0655
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0036 0.0508 0.1118
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0065 0.1298 0.1272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0036 0.0508 0.1118
Leishmania major phosphoglycerate kinase B, cytosolic 0.0185 0.4542 0.4525
Onchocerca volvulus Dual oxidase homolog 0.0032 0.0404 0.1742
Schistosoma mansoni thyroid hormone receptor 0.0036 0.0508 0.1118
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Schistosoma mansoni rab6-interacting 0.0023 0.0172 0.0378
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0185 0.4542 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0036 0.0508 0.1118
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0036 0.0508 0.0508
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0096 0.0096
Echinococcus multilocularis dna polymerase kappa 0.0087 0.1885 0.415
Plasmodium vivax multidomain scavenger receptor, putative 0.0023 0.0172 0.0314
Loa Loa (eye worm) hypothetical protein 0.0198 0.4889 0.4889
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Echinococcus multilocularis FTZ F1 alpha 0.0036 0.0508 0.1118
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0404 0.0404
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0311 0.0684
Echinococcus granulosus dna polymerase eta 0.0085 0.1852 0.4077
Trypanosoma brucei unspecified product 0.004 0.0621 0.0593
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0083 0.0118
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0027 0.0266 0.0409
Giardia lamblia Kinase, PLK 0.0103 0.2319 0.5073
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0036 0.0508 0.0508
Loa Loa (eye worm) steroid hormone receptor 0.0036 0.0508 0.0508
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.1104 0.1104
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0311 0.0623
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0573 0.1262
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0311 0.0311
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0266 0.0522
Giardia lamblia Phosphoglycerate kinase 0.0185 0.4542 1
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0404 0.0404
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0036 0.0508 0.0508
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0036 0.0508 0.0508
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0083 0.0083
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0404 0.0404
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0083 0.0183
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1555 0.3424
Plasmodium falciparum LCCL domain-containing protein 0.0023 0.0172 0.0314
Onchocerca volvulus Peroxidasin homolog 0.0032 0.0404 0.1742
Brugia malayi polk-prov protein 0.0047 0.081 0.081
Brugia malayi Doublecortin family protein 0.0023 0.0172 0.0172
Trichomonas vaginalis DNA helicase recq, putative 0.0049 0.0877 0.1781
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1555 0.3424
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0185 0.4542 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0036 0.0508 0.1118
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0036 0.0508 0.0508
Brugia malayi Flap endonuclease-1 0.0028 0.0311 0.0311
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0029 0.0326 0.0717
Entamoeba histolytica hypothetical protein 0.0038 0.0573 0.1099
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.081 0.0783
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.2319 0.5106
Echinococcus granulosus peroxidasin 0.0032 0.0404 0.0889
Brugia malayi hypothetical protein 0.0023 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0054
Trypanosoma brucei hypothetical protein, conserved 0.0231 0.5791 0.5778
Echinococcus granulosus phosphoglycerate kinase 1 0.0185 0.4542 1
Trypanosoma brucei unspecified product 0.0079 0.1691 0.1666
Brugia malayi Phosphoglycerate kinase 0.0068 0.138 0.138
Plasmodium falciparum metacaspase-like protein 0.0029 0.0326 0.0655
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.0778 0.075
Schistosoma mansoni DNA helicase recq1 0.002 0.0096 0.0211
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0036 0.0508 0.0508
Echinococcus granulosus lipoxygenase domain containing protein 0.0023 0.0172 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Onchocerca volvulus Peroxidasin homolog 0.0032 0.0404 0.1742
Trichomonas vaginalis DNA helicase recq1, putative 0.0049 0.0877 0.1781
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0036 0.0508 0.0508
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0096 0.0211
Mycobacterium ulcerans phosphoglycerate kinase 0.0185 0.4542 1
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0326 0.0655
Loa Loa (eye worm) RNA binding protein 0.0074 0.1555 0.1555
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0573 0.1262
Trypanosoma cruzi metacaspase, putative 0.0029 0.0326 0.0296
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0172
Onchocerca volvulus Bile acid receptor homolog 0.0036 0.0508 0.219
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.1885 0.186
Echinococcus granulosus caspase 8 0.0029 0.0326 0.0717
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0036 0.0508 0.0508
Echinococcus multilocularis dna polymerase eta 0.0085 0.1852 0.4077
Schistosoma mansoni rab6-interacting 0.0023 0.0172 0.0378
Loa Loa (eye worm) hypothetical protein 0.0047 0.081 0.081
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0185 0.4542 0.4525
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0096 0.0096
Mycobacterium tuberculosis Conserved hypothetical protein 0.0058 0.1104 0.229
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0258 0.0228
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0029 0.0326 0.0544
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0029 0.0326 0.0717
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.2319 1
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0096 0.0146
Trypanosoma cruzi metacaspase, putative 0.0029 0.0326 0.0296
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0083 0.0053
Loa Loa (eye worm) hypothetical protein 0.0019 0.0054 0.0054
Echinococcus granulosus RUN 0.0023 0.0172 0.0378
Trypanosoma brucei metacaspase 0.0029 0.0326 0.0296
Schistosoma mansoni tar DNA-binding protein 0.0074 0.1555 0.3424
Brugia malayi photoreceptor-specific nuclear receptor 0.0036 0.0508 0.0508
Loa Loa (eye worm) hypothetical protein 0.0387 1 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0508 0.0508
Schistosoma mansoni DNA polymerase eta 0.0085 0.1852 0.4077
Loa Loa (eye worm) blistered cuticle protein 3 0.0032 0.0404 0.0404
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.1885 0.186
Echinococcus multilocularis lipoxygenase domain containing protein 0.0023 0.0172 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.2319 0.5015
Loa Loa (eye worm) hypothetical protein 0.0032 0.0404 0.0404
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0074 0.1555 0.1555

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 35 mg kg-1 Anti-inflammatory activity in orally dosed Wistar rat assessed as reduction of carrageenan-induced paw edema at 30 mg/kg, po ChEMBL. 16730986
IC50 (binding) = 0.592 uM Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus ChEMBL. 14698190
IC50 (binding) = 0.592 uM Inhibitory activity against human Prostaglandin G/H synthase 2 expressed in sf-9 cells infected with baculovirus ChEMBL. 14698190
IC50 (binding) = 230 uM Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles ChEMBL. 14698190
IC50 (binding) = 230 uM Inhibitory activity against prostaglandin G/H synthase 1 from ram seminal vesicles ChEMBL. 14698190
Inhibition (binding) = 0.592 % Inhibition of human recombinant COX2 expressed in sf9 cells infected with baculovirus ChEMBL. 16730986
Inhibition (binding) = 0.592 % Inhibition of human recombinant COX2 expressed in sf9 cells infected with baculovirus ChEMBL. 16730986
Inhibition (binding) = 230 % Inhibition of microsomal COX1 ChEMBL. 16730986
Inhibition (binding) = 230 % Inhibition of microsomal COX1 ChEMBL. 16730986

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

2 literature references were collected for this gene.

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