Detailed information for compound 522253

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 405.874 | Formula: C19H17ClFN3O2S
  • H donors: 1 H acceptors: 4 LogP: 4.34 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CNc1nc(nc(c1C)Cl)c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C19H17ClFN3O2S/c1-12-17(20)23-19(14-5-9-16(10-6-14)27(2,25)26)24-18(12)22-11-13-3-7-15(21)8-4-13/h3-10H,11H2,1-2H3,(H,22,23,24)
  • InChiKey: UPACSHHPMXAHHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Entamoeba histolytica glycogen phosphorylase, putative 0.034 0.2147 0.4261
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0109 0.0506
Trichomonas vaginalis CAMK family protein kinase 0.0021 0.0078 0.0156
Schistosoma mansoni laminin gamma-3 chain 0.001 0.0011 0.0023
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.003 0.0138 0.6448
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Loa Loa (eye worm) blistered cuticle protein 3 0.0032 0.0151 0.0299
Echinococcus multilocularis lamin dm0 0.0023 0.0093 0.0185
Echinococcus multilocularis glycogen phosphorylase 0.0785 0.5037 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0357 0.2261 0.4488
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Treponema pallidum fructose-bisphosphate aldolase 0.0264 0.166 1
Echinococcus multilocularis muscleblind protein 0.0199 0.1235 0.2451
Echinococcus multilocularis protein jagged 2 0.001 0.0011 0.0023
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.034 0.2147 0.2147
Mycobacterium ulcerans aldehyde dehydrogenase 0.0037 0.0185 0.0861
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Echinococcus multilocularis Glycosyl transferase, family 35 0.0785 0.5037 1
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0151 0.0299
Brugia malayi cytoplasmic intermediate filament protein 0.0012 0.0024 0.0048
Trichomonas vaginalis glycogen phosphorylase, putative 0.0785 0.5037 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0038 0.0189 0.0374
Trypanosoma cruzi DNA repair protein, putative 0.0029 0.0133 0.6194
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Loa Loa (eye worm) hypothetical protein 0.005 0.027 0.0535
Echinococcus multilocularis neurogenic locus protein delta 0.001 0.0011 0.0023
Echinococcus multilocularis dna polymerase eta 0.0038 0.0189 0.0374
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Brugia malayi Muscleblind-like protein 0.0199 0.1235 0.2451
Echinococcus multilocularis protein jagged 1 0.001 0.0011 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Echinococcus granulosus protein jagged 2 0.001 0.0011 0.0023
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0028 0.0126 0.0249
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0126 0.0249
Brugia malayi ImpB/MucB/SamB family protein 0.0026 0.0116 0.023
Brugia malayi Calcium binding EGF domain containing protein 0.001 0.0011 0.0023
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0189 0.0374
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.0024 0.0048
Schistosoma mansoni peroxidasin 0.0032 0.0151 0.0299
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Schistosoma mansoni notch 0.001 0.0011 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.2926
Loa Loa (eye worm) Notch2 0.001 0.0011 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0013 0.0032 0.0064
Echinococcus granulosus microtubule associated protein 2 0.0304 0.1916 0.3803
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0025 0.0109 0.0216
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus protein jagged 1 0.001 0.0011 0.0023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.0126 0.0249
Mycobacterium ulcerans aldehyde dehydrogenase 0.0037 0.0185 0.0861
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0025 0.0109 0.0216
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0026 0.0116 0.023
Mycobacterium ulcerans DNA polymerase IV 0.0026 0.0116 0.054
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0013 0.0032 0.0064
Brugia malayi Cadherin domain containing protein 0.001 0.0011 0.0023
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0028 0.0126 0.0249
Schistosoma mansoni notch 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Schistosoma mansoni intermediate filament proteins 0.0023 0.0093 0.0185
Trypanosoma brucei DNA polymerase IV, putative 0.0026 0.0116 0.5399
Entamoeba histolytica glycogen phosphorylase, putative 0.0785 0.5037 1
Trichomonas vaginalis set domain proteins, putative 0.0107 0.0639 0.1269
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0009 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0026 0.0116 0.023
Schistosoma mansoni slit 0.001 0.0011 0.0023
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0019 0.0071 0.3824
Wolbachia endosymbiont of Brugia malayi recombinase A 0.0094 0.0556 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Brugia malayi Delta serrate ligand family protein 0.001 0.0011 0.0023
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0189 0.8789
Echinococcus multilocularis fibropellin Ia 0.001 0.0011 0.0023
Brugia malayi Pre-SET motif family protein 0.0013 0.0032 0.0064
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Loa Loa (eye worm) notch protein 0.001 0.0011 0.0023
Brugia malayi Calcium binding EGF domain containing protein 0.001 0.0011 0.0023
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0037 0.0185 0.0367
Trypanosoma brucei recA bacterial DNA recombination protein, putative 0.0029 0.0133 0.6194
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Brugia malayi notch-like transmembrane receptor 0.001 0.0011 0.0023
Echinococcus multilocularis glycogen phosphorylase 0.0785 0.5037 1
Brugia malayi Muscle positioning protein 4 0.001 0.0011 0.0023
Mycobacterium ulcerans DNA polymerase IV 0.0026 0.0116 0.054
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0013 0.0032 0.0064
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Echinococcus multilocularis notch 0.001 0.0011 0.0023
Echinococcus granulosus muscleblind protein 0.0199 0.1235 0.2451
Toxoplasma gondii EGF family domain-containing protein 0.001 0.0011 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0199 0.1235 0.2451
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0151 0.0299
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.0215 0.0426
Onchocerca volvulus 0.0032 0.0151 0.0277
Entamoeba histolytica deoxycytidyl transferase, putative 0.0026 0.0116 0.023
Echinococcus granulosus notch 0.001 0.0011 0.0023
Onchocerca volvulus Peroxidase homolog 0.0032 0.0151 0.0277
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0013 0.0032 0.1752
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0025 0.0109 0.0216
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus fibropellin Ia 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0027
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Giardia lamblia DINP protein human, muc B family 0.0026 0.0116 0.023
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Echinococcus multilocularis neurogenic locus notch protein 0.001 0.0011 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.0126 0.0249
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Schistosoma mansoni notch 0.001 0.0011 0.0023
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.003 0.0138 0.0275
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Onchocerca volvulus Peroxidase homolog 0.0032 0.0151 0.0277
Trypanosoma brucei polo-like protein kinase 0.0042 0.0215 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Loa Loa (eye worm) hypothetical protein 0.0022 0.0091 0.018
Schistosoma mansoni peroxidasin 0.0032 0.0151 0.0299
Echinococcus granulosus glycogen phosphorylase 0.0785 0.5037 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Trypanosoma brucei unspecified product 0.0026 0.0116 0.5399
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.003 0.0138 0.0275
Loa Loa (eye worm) hypothetical protein 0.0011 0.0014 0.0027
Echinococcus granulosus lamin 0.0023 0.0093 0.0185
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.034 0.2147 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus neurogenic locus notch protein 0.001 0.0011 0.0023
Echinococcus multilocularis muscleblind protein 1 0.0199 0.1235 0.2451
Onchocerca volvulus Peroxidasin homolog 0.0032 0.0151 0.0277
Onchocerca volvulus 0.0107 0.0639 0.1249
Schistosoma mansoni glycogen phosphorylase 0.0785 0.5037 1
Schistosoma mansoni DNA polymerase eta 0.0038 0.0189 0.0374
Loa Loa (eye worm) hypothetical protein 0.0013 0.0032 0.0064
Entamoeba histolytica glycogen phosphorylase, putative 0.034 0.2147 0.4261
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0151 0.0299
Echinococcus multilocularis neurogenic locus notch protein 4 0.001 0.0011 0.0023
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0025 0.0109 0.0216
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Echinococcus granulosus dna polymerase eta 0.0038 0.0189 0.0374
Brugia malayi Cadherin domain containing protein 0.001 0.0011 0.0023
Brugia malayi Peroxidasin 0.0032 0.0151 0.0299
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.003 0.0138 0.0275
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Onchocerca volvulus Glycogen phosphorylase homolog 0.0785 0.5037 1
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Schistosoma mansoni lamin 0.0023 0.0093 0.0185
Mycobacterium tuberculosis Probable replicative DNA helicase DnaB 0.1456 0.9389 0.9389
Trypanosoma cruzi polo-like protein kinase, putative 0.0042 0.0215 1
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0026 0.0116 0.023
Trypanosoma cruzi DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Echinococcus multilocularis transcription factor Dp 1 0.0017 0.0057 0.0113
Onchocerca volvulus 0.0013 0.0032 0.0042
Echinococcus multilocularis protein jagged 1 0.001 0.0011 0.0023
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0028 0.0126 0.0249
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.003 0.0138 0.0275
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.003 0.0138 0.0275
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Brugia malayi Blistered cuticle protein 3 0.0032 0.0151 0.0299
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0011 0.0017 0.0033
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Mycobacterium leprae Conserved hypothetical protein 0.0553 0.3529 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.003 0.0138 0.6448
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.003 0.0138 0.0275
Echinococcus granulosus dna polymerase kappa 0.0026 0.0116 0.023
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0025 0.0109 0.0506
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Echinococcus multilocularis microtubule associated protein 2 0.0304 0.1916 0.3803
Echinococcus granulosus neural cadherin 0.001 0.0011 0.0023
Brugia malayi Intermediate filament tail domain containing protein 0.0023 0.0093 0.0185
Brugia malayi serine/threonine-protein kinase plk-2 0.0042 0.0215 0.0426
Brugia malayi Pre-SET motif family protein 0.0094 0.0555 0.1102
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Schistosoma mansoni notch 0.001 0.0011 0.0023
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0151 0.0299
Echinococcus multilocularis lamin 0.0023 0.0093 0.0185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0013 0.0032 0.0064
Toxoplasma gondii aldehyde dehydrogenase 0.0037 0.0185 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0042 0.0215 0.0426
Leishmania major DNA polymerase eta, putative 0.0019 0.0071 0.3294
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0042 0.0215 0.0426
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0013 0.0032 0.0064
Schistosoma mansoni hypothetical protein 0.001 0.0011 0.0023
Echinococcus granulosus lamin dm0 0.0023 0.0093 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0026 0.0116 0.023
Onchocerca volvulus Neurogenic locus notch protein homolog 0.001 0.0011 0.0000000072936
Echinococcus granulosus neurogenic locus protein delta 0.001 0.0011 0.0023
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0026 0.0116 0.5399
Leishmania major DNA polymerase eta, putative 0.0038 0.0189 0.8789
Giardia lamblia Fructose-bisphosphate aldolase 0.0264 0.166 0.3295
Echinococcus multilocularis neural cadherin 0.001 0.0011 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0094 0.0555 0.1102
Loa Loa (eye worm) hypothetical protein 0.0199 0.1235 0.2451
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0037 0.0185 0.8613
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0024 0.0098 0.0194
Echinococcus multilocularis neurogenic locus protein delta 0.001 0.0011 0.0023
Loa Loa (eye worm) MH2 domain-containing protein 0.0049 0.0261 0.0519
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Schistosoma mansoni aldehyde dehydrogenase 0.0037 0.0185 0.0367
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Mycobacterium ulcerans aldehyde dehydrogenase 0.0037 0.0185 0.0861
Schistosoma mansoni terminal deoxycytidyl transferase 0.0026 0.0116 0.023
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0028 0.0126 0.0249
Onchocerca volvulus Neurogenic locus notch homolog 0.001 0.0011 0.0000000072936
Schistosoma mansoni lamin 0.0023 0.0093 0.0185
Echinococcus multilocularis musashi 0.0023 0.0093 0.0185
Trypanosoma brucei DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Echinococcus granulosus intermediate filament protein 0.0023 0.0093 0.0185
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0151 0.0299
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Giardia lamblia High cysteine protein 0.001 0.0011 0.0023
Echinococcus multilocularis fat cadherin tumor suppressor 0.001 0.0011 0.0023
Trypanosoma brucei DNA polymerase IV, putative 0.0026 0.0116 0.5399
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Onchocerca volvulus Dual oxidase homolog 0.0032 0.0151 0.0277
Onchocerca volvulus Peroxidasin homolog 0.0032 0.0151 0.0277
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Mycobacterium ulcerans recombinase A 0.0094 0.0556 0.2589
Entamoeba histolytica glycogen phosphorylase, putative 0.0785 0.5037 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Trichomonas vaginalis CAMK family protein kinase 0.0021 0.0078 0.0156
Trypanosoma cruzi DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Brugia malayi carbohydrate phosphorylase 0.0785 0.5037 1
Onchocerca volvulus Huntingtin homolog 0.005 0.027 0.0514
Loa Loa (eye worm) animal heme peroxidase 0.0032 0.0151 0.0299
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.003 0.0138 0.6448
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0013 0.0029 0.0058
Brugia malayi hypothetical protein 0.0032 0.0151 0.0299
Loa Loa (eye worm) transcription factor SMAD2 0.0049 0.0261 0.0519
Entamoeba histolytica glycogenphosphorylase, putative 0.034 0.2147 0.4261
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0071 0.3294
Schistosoma mansoni notch 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Trichomonas vaginalis glycogen phosphorylase, putative 0.0785 0.5037 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0026 0.0116 0.023
Onchocerca volvulus 0.0023 0.0093 0.0163
Mycobacterium tuberculosis Conserved hypothetical protein 0.0026 0.0116 0.0116
Brugia malayi GCC2 and GCC3 family protein 0.001 0.0011 0.0023
Echinococcus granulosus histone lysine methyltransferase setb 0.0013 0.0032 0.0064
Trypanosoma cruzi DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.2926
Onchocerca volvulus Huntingtin homolog 0.005 0.027 0.0514
Schistosoma mansoni cell polarity protein 0.001 0.0011 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0126 0.0249
Echinococcus granulosus delta-like protein 1 0.001 0.0011 0.0023
Brugia malayi Calcium binding EGF domain containing protein 0.001 0.0011 0.0023
Echinococcus granulosus neurogenic locus notch protein 4 0.001 0.0011 0.0023
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0151 0.0299
Giardia lamblia Glycogen phosphorylase 0.0785 0.5037 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0037 0.0185 0.0185
Trypanosoma brucei DNA polymerase IV, putative 0.0026 0.0116 0.5399
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0129 0.0783 0.0783
Onchocerca volvulus Serine\/threonine kinase homolog 0.0042 0.0215 0.0404
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0013 0.0032 0.0064
Entamoeba histolytica serine/threonine protein kinase, putative 0.0042 0.0215 0.0426
Loa Loa (eye worm) glycogen phosphorylase 0.0785 0.5037 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0025 0.0109 0.5064
Schistosoma mansoni kinase 0.0021 0.0082 0.0163
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0026 0.0116 0.023
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0011 0.0017 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0018 0.0063 0.2926
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0151 0.0299
Brugia malayi MH2 domain containing protein 0.0049 0.0261 0.0519
Echinococcus granulosus neurogenic locus notch protein 0.001 0.0011 0.0023
Echinococcus granulosus Glycosyl transferase family 35 0.0785 0.5037 1
Schistosoma mansoni notch 0.001 0.0011 0.0023
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0042 0.0215 0.0426
Onchocerca volvulus 0.0032 0.0151 0.0277
Brugia malayi EGF-like domain containing protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Treponema pallidum recombinase A 0.0094 0.0556 0.3349
Brugia malayi intermediate filament protein 0.0023 0.0093 0.0185
Schistosoma mansoni aldehyde dehydrogenase 0.0037 0.0185 0.0367
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.003 0.0138 0.6448
Schistosoma mansoni microtubule-associated protein tau 0.0304 0.1916 0.3803
Schistosoma mansoni glycogen phosphorylase 0.034 0.2147 0.4261
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0042 0.0215 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0093 0.0185
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.001 0.0011 0.0023
Leishmania major DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Echinococcus granulosus glycogen phosphorylase 0.0785 0.5037 1
Trypanosoma brucei DNA polymerase eta, putative 0.0038 0.0189 0.8789
Echinococcus multilocularis dna polymerase kappa 0.0026 0.0116 0.023
Loa Loa (eye worm) hypothetical protein 0.0011 0.0017 0.0033
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0129 0.0783 0.3645
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0023 0.0093 0.0185
Giardia lamblia Kinase, PLK 0.0042 0.0215 0.0426
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.001 0.0011 0.0023
Onchocerca volvulus 0.0032 0.0151 0.0277
Brugia malayi Animal haem peroxidase family protein 0.0032 0.0151 0.0299
Echinococcus granulosus protein jagged 1 0.001 0.0011 0.0023
Echinococcus granulosus protein jagged 2 0.001 0.0011 0.0023
Echinococcus granulosus transcription factor Dp 1 0.0017 0.0057 0.0113
Trichomonas vaginalis CAMK family protein kinase 0.0042 0.0215 0.0426
Trypanosoma brucei unspecified product 0.0018 0.0063 0.2926
Onchocerca volvulus 0.0023 0.0093 0.0163
Trypanosoma cruzi DNA polymerase kappa, putative 0.0026 0.0116 0.5399
Onchocerca volvulus Chorion peroxidase homolog 0.0032 0.0151 0.0277
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Loa Loa (eye worm) intermediate filament protein 0.0023 0.0093 0.0185
Chlamydia trachomatis glycogen phosphorylase 0.0785 0.5037 1
Trypanosoma cruzi DNA repair protein, putative 0.0029 0.0133 0.6194
Loa Loa (eye worm) hypothetical protein 0.0032 0.0151 0.0299
Loa Loa (eye worm) hypothetical protein 0.005 0.027 0.0535
Echinococcus granulosus slit 2 protein 0.001 0.0011 0.0023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0028 0.0126 0.0249
Plasmodium vivax SET domain protein, putative 0.0013 0.0032 1
Echinococcus multilocularis peroxidasin 0.0032 0.0151 0.0299
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0025 0.0109 0.0109
Echinococcus granulosus peroxidasin 0.0032 0.0151 0.0299
Trypanosoma cruzi polo-like protein kinase, putative 0.0042 0.0215 1
Brugia malayi hypothetical protein 0.005 0.027 0.0535
Loa Loa (eye worm) hypothetical protein 0.001 0.0011 0.0023
Trypanosoma brucei unspecified product 0.0018 0.0063 0.2926
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0026 0.0116 0.0116
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0037 0.0185 0.0367
Echinococcus multilocularis neurogenic locus notch protein 0.001 0.0011 0.0023
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0129 0.0783 0.0763
Schistosoma mansoni glycogen phosphorylase 0.0785 0.5037 1
Echinococcus multilocularis slit 2 protein 0.001 0.0011 0.0023
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0264 0.166 0.3295
Schistosoma mansoni septate junction protein 0.001 0.0011 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0264 0.166 0.3295

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.83758 Inhibition of COX2 in Homo sapiens (human) whole blood ChEMBL. No reference
IC50 (binding) = 68.8 nM Inhibition of human COX2 in human whole blood ChEMBL. 18158247
IC50 (binding) = 68.8 nM Inhibition of human COX2 in human whole blood ChEMBL. 18158247
IC50 (binding) = 68.8 nM Inhibition of COX2 in Homo sapiens (human) whole blood ChEMBL. No reference
Ratio IC50 (binding) = 0.41 Ratio of IC50 for COX2 in human whole blood to IC50 for human purified COX2 ChEMBL. 18158247
Ratio IC50 (binding) = 0.41 Ratio of IC50 for COX2 in human whole blood to IC50 for human purified COX2 ChEMBL. 18158247
Ratio IC50 (binding) > 145 Ratio of IC50 for human COX1 to IC50 for human COX2 in human whole blood ChEMBL. 18158247

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

1 literature reference was collected for this gene.

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