Detailed information for compound 156939

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 443.438 | Formula: C18H13F4N3O2S2
  • H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc2CSc3c(c2cc1F)n(nc3C(F)(F)F)c1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C18H13F4N3O2S2/c1-9-6-10-8-28-16-15(13(10)7-14(9)19)25(24-17(16)18(20,21)22)11-2-4-12(5-3-11)29(23,26)27/h2-7H,8H2,1H3,(H2,23,26,27)
  • InChiKey: DADHJCHABCTJSK-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 1 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL No references
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL No 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
Schistosoma mansoni tar DNA-binding protein 0.007 0.0364 0.0364
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0318 0.0451
Onchocerca volvulus Bile acid receptor homolog 0.0096 0.0566 1
Brugia malayi nuclear receptor NHR-88 0.0045 0.0183 0.0259
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0096 0.0566 0.0566
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0224 0.0317
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0049 0.0069
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0959 0.7056 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0219 0.0219
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0049 0.0069
Plasmodium vivax flap endonuclease 1, putative 0.0029 0.0056 1
Echinococcus granulosus tar DNA binding protein 0.007 0.0364 0.0364
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0959 0.7056 1
Plasmodium falciparum flap endonuclease 1 0.0029 0.0056 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0096 0.0566 0.0566
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0045 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0096 0.0566 0.0802
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.0211 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0096 0.0566 0.0802
Loa Loa (eye worm) flap endonuclease-1 0.0029 0.0056 0.0079
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0045 0.0183 0.019
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0101 0.0143
Schistosoma mansoni hypothetical protein 0.0366 0.2597 0.2597
Schistosoma mansoni nuclear hormone receptor 0.0096 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Entamoeba histolytica hypothetical protein 0.004 0.0138 0.0196
Echinococcus multilocularis dna polymerase eta 0.0049 0.0211 0.0219
Schistosoma mansoni tar DNA-binding protein 0.007 0.0364 0.0364
Echinococcus multilocularis flap endonuclease 1 0.0029 0.0056 0.0058
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0096 0.0566 0.0588
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0959 0.7056 1
Brugia malayi hypothetical protein 0.0045 0.0183 0.0259
Brugia malayi nuclear receptor RXR 0.0051 0.0224 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0096 0.0566 0.0802
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.0211 0.0299
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0096 0.0566 0.0566
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0096 0.0566 0.0802
Echinococcus granulosus ecdysone induced protein 78C 0.0096 0.0566 0.0566
Brugia malayi nuclear hormone receptor family member nhr-6 0.0045 0.0183 0.0259
Brugia malayi nuclear hormone receptor 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0096 0.0566 0.0588
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0051 0.0224 0.0232
Echinococcus granulosus transcription factor Dp 1 0.0555 0.4017 0.4017
Loa Loa (eye worm) TAR-binding protein 0.007 0.0364 0.0516
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0051 0.0224 0.0224
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0096 0.0566 0.0802
Schistosoma mansoni coup transcription factor 0.0096 0.0566 0.0566
Echinococcus granulosus Nuclear hormone receptor HR96 0.0045 0.0183 0.0183
Onchocerca volvulus 0.0063 0.0318 0.3537
Brugia malayi TAR-binding protein 0.007 0.0364 0.0516
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0045 0.0183 0.0183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0096 0.0566 0.0802
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0 0.5
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0318 0.3537
Brugia malayi nuclear hormone receptor family member odr-7 0.0045 0.0183 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0096 0.0566 0.0802
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0219 0.0227
Brugia malayi hypothetical protein 0.0045 0.0183 0.0259
Entamoeba histolytica hypothetical protein 0.004 0.0138 0.0196
Brugia malayi Steroid receptor seven-up type 2 0.0096 0.0566 0.0802
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0096 0.0566 0.0566
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0051 0.0224 0.0317
Entamoeba histolytica Flap nuclease, putative 0.0029 0.0056 0.0079
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Schistosoma mansoni nuclear receptor 0.0045 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Schistosoma mansoni retinoic acid receptor RXR 0.135 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.0101 1
Onchocerca volvulus 0.0063 0.0318 0.3537
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0138 0.0138
Loa Loa (eye worm) hypothetical protein 0.0051 0.0224 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0096 0.0566 0.0802
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0029 0.0056 0.0079
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0045 0.0183 0.019
Loa Loa (eye worm) steroid hormone receptor 0.0096 0.0566 0.0802
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0029 0.0056 0.0079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0219 0.0227
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Echinococcus granulosus FTZ F1 alpha 0.0096 0.0566 0.0566
Schistosoma mansoni DNA polymerase eta 0.0049 0.0211 0.0211
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Entamoeba histolytica hypothetical protein 0.004 0.0138 0.0196
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0096 0.0566 0.0566
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0318 0.0451
Brugia malayi nuclear receptor RXR 0.0045 0.0183 0.0259
Echinococcus multilocularis nuclear receptor nhr 48 0.0045 0.0183 0.019
Echinococcus multilocularis ecdysone induced protein 78C 0.0096 0.0566 0.0588
Loa Loa (eye worm) hypothetical protein 0.0051 0.0224 0.0317
Echinococcus multilocularis thyroid hormone receptor alpha 0.0096 0.0566 0.0588
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Schistosoma mansoni steroid hormone receptor ad4bp 0.0096 0.0566 0.0566
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0096 0.0566 0.0802
Echinococcus multilocularis tar DNA binding protein 0.007 0.0364 0.0379
Loa Loa (eye worm) hypothetical protein 0.0028 0.0049 0.0069
Loa Loa (eye worm) nuclear receptor NHR-67 0.0045 0.0183 0.0259
Schistosoma mansoni hypothetical protein 0.0366 0.2597 0.2597
Brugia malayi nuclear hormone receptor 0.0045 0.0183 0.0259
Brugia malayi ecdysteroid receptor 0.0096 0.0566 0.0802
Schistosoma mansoni peroxidasin 0.0063 0.0318 0.0318
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0096 0.0566 0.0802
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0096 0.0566 0.0566
Brugia malayi steroid hormone receptor 0.0096 0.0566 0.0802
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.0211 0.0299
Brugia malayi hypothetical protein 0.0063 0.0318 0.0451
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0138 0.0138
Brugia malayi tailless protein 0.0045 0.0183 0.0259
Leishmania major DNA polymerase eta, putative 0.0035 0.0101 0.0143
Schistosoma mansoni flap endonuclease-1 0.0026 0.0035 0.0035
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0029 0.0056 0.0079
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Echinococcus granulosus thyroid hormone receptor alpha 0.0045 0.0183 0.0183
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0096 0.0566 1
Echinococcus multilocularis transcription factor Dp 1 0.0555 0.4017 0.4177
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Onchocerca volvulus 0.0063 0.0318 0.3537
Echinococcus granulosus peroxidasin 0.0063 0.0318 0.0318
Loa Loa (eye worm) RNA binding protein 0.007 0.0364 0.0516
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Brugia malayi ecdysone receptor 0.0045 0.0183 0.0259
Schistosoma mansoni zinc finger protein 0.0045 0.0183 0.0183
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0096 0.0566 0.0588
Leishmania major DNA polymerase eta, putative 0.0049 0.0211 0.0299
Echinococcus granulosus flap endonuclease 1 0.0029 0.0056 0.0056
Brugia malayi conserved hypotetical protein 0.0045 0.0183 0.0259
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0096 0.0566 0.0802
Onchocerca volvulus Dual oxidase homolog 0.0063 0.0318 0.3537
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0096 0.0566 0.0566
Onchocerca volvulus 0.0096 0.0566 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0096 0.0566 0.0566
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0096 0.0566 0.0802
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0318 0.0451
Loa Loa (eye worm) hypothetical protein 0.0049 0.0211 0.0299
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0096 0.0566 0.0566
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0049 0.0069
Brugia malayi hypothetical protein 0.0028 0.0049 0.0069
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0096 0.0566 0.0802
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0096 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0051 0.0224 0.0224
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0219 0.0219
Schistosoma mansoni nuclear receptor nhr-48 0.0045 0.0183 0.0183
Brugia malayi Nuclear hormone receptor-like 1 0.0051 0.0224 0.0317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0096 0.0566 0.0802
Schistosoma mansoni peroxidasin 0.0063 0.0318 0.0318
Brugia malayi orphan nuclear receptor NR2E1 0.0045 0.0183 0.0259
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0051 0.0224 0.0224
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0959 0.7056 0.7056
Schistosoma mansoni thyroid hormone receptor 0.0096 0.0566 0.0566
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0219 0.031
Onchocerca volvulus Protein ultraspiracle homolog 0.0096 0.0566 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0045 0.0183 0.019
Echinococcus multilocularis FTZ F1 alpha 0.0096 0.0566 0.0588
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0138 0.0143
Brugia malayi hypothetical protein 0.0051 0.0224 0.0317
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0959 0.7056 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0219 0.031
Brugia malayi photoreceptor-specific nuclear receptor 0.0096 0.0566 0.0802
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0318 0.0451
Schistosoma mansoni RAR-like nuclear receptor 0.0096 0.0566 0.0566
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0045 0.0183 0.0259
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0029 0.0056 0.1335
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0318 0.0451
Onchocerca volvulus Peroxidasin homolog 0.0063 0.0318 0.3537
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0096 0.0566 0.0588
Brugia malayi Nuclear hormone receptor-like 1 0.0096 0.0566 0.0802
Echinococcus multilocularis peroxidasin 0.0063 0.0318 0.0331
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0096 0.0566 0.0588
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0096 0.0566 0.0802
Brugia malayi Peroxidasin 0.0063 0.0318 0.0451
Echinococcus granulosus geminin 0.0366 0.2597 0.2597
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0959 0.7056 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.0364 0.0516
Onchocerca volvulus Peroxidase homolog 0.0063 0.0318 0.3537
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0096 0.0566 0.0802
Loa Loa (eye worm) DR-78 0.0045 0.0183 0.0259
Schistosoma mansoni tar DNA-binding protein 0.007 0.0364 0.0364
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0045 0.0183 0.019
Brugia malayi RNA binding protein 0.007 0.0364 0.0516
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0959 0.7056 0.7337
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.0318 0.3537
Loa Loa (eye worm) hypothetical protein 0.0063 0.0318 0.0451
Brugia malayi Nuclear hormone receptor E75 0.0045 0.0183 0.0259
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0096 0.0566 0.0566
Brugia malayi RNA recognition motif domain containing protein 0.007 0.0364 0.0516
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0318 0.0451
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.1299 0.9617 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.0364 0.0364
Entamoeba histolytica hypothetical protein 0.004 0.0138 0.0196
Loa Loa (eye worm) hypothetical protein 0.0051 0.0224 0.0317
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0045 0.0183 0.0183
Echinococcus granulosus Nuclear hormone receptor HR96 0.0045 0.0183 0.0183
Brugia malayi Animal haem peroxidase family protein 0.0063 0.0318 0.0451
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Brugia malayi nuclear receptor NHR-67 0.0045 0.0183 0.0259
Loa Loa (eye worm) hypothetical protein 0.0051 0.0224 0.0317
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0096 0.0566 0.0566
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0183 0.0183
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0959 0.7056 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0219 0.0219
Schistosoma mansoni nuclear hormone receptor 0.0045 0.0183 0.0183
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0318 0.0451
Brugia malayi Blistered cuticle protein 3 0.0063 0.0318 0.0451
Brugia malayi Nuclear hormone receptor E75 0.0045 0.0183 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0096 0.0566 0.0802
Loa Loa (eye worm) nuclear hormone receptor 0.0045 0.0183 0.0259
Echinococcus multilocularis geminin 0.0366 0.2597 0.27
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0959 0.7056 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Leishmania major hypothetical protein, conserved 0.0028 0.0049 0.0069
Loa Loa (eye worm) hypothetical protein 0.0045 0.0183 0.0259
Trichomonas vaginalis flap endonuclease-1, putative 0.0029 0.0056 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0219 0.0219
Loa Loa (eye worm) hypothetical protein 0.0096 0.0566 0.0802
Loa Loa (eye worm) hypothetical protein 0.0051 0.0224 0.0317
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.0318 0.0451
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.0318 0.0451
Giardia lamblia Flap structure-specific endonuclease 0.0029 0.0056 1
Brugia malayi hypothetical protein 0.0051 0.0224 0.0317
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0045 0.0183 0.0259
Schistosoma mansoni nuclear receptor 0.0045 0.0183 0.0183
Brugia malayi Flap endonuclease-1 0.0029 0.0056 0.0079
Schistosoma mansoni tar DNA-binding protein 0.007 0.0364 0.0364
Schistosoma mansoni thyroid hormone receptor 0.0096 0.0566 0.0566
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0219 0.0219
Echinococcus granulosus dna polymerase eta 0.0049 0.0211 0.0211
Onchocerca volvulus Peroxidase homolog 0.0063 0.0318 0.3537
Echinococcus granulosus nuclear receptor nhr 48 0.0045 0.0183 0.0183
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0045 0.0183 0.0183
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0959 0.7056 0.7056
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0096 0.0566 0.0588
Brugia malayi hypothetical protein 0.004 0.0138 0.0196
Schistosoma mansoni hypothetical protein 0.004 0.0138 0.0138
Brugia malayi nuclear receptor NHR-88 0.0096 0.0566 0.0802

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 15 uM Compound was tested for inhibitory activity in carrageenan rat foot edema assay ChEMBL. No reference
IC50 (binding) = 4.9547 Inhibition of COX-1 (unknown origin) ChEMBL. No reference
IC50 (binding) = 7.7959 Inhibition of COX-2 (unknown origin) ChEMBL. No reference
IC50 (binding) = 0.016 uM Inhibition of Prostaglandin G/H synthase 2 (COX-2) ChEMBL. No reference
IC50 (binding) = 0.016 uM Inhibition of Prostaglandin G/H synthase 2 (COX-2) ChEMBL. No reference
IC50 (binding) = 11.1 uM Inhibition of Prostaglandin G/H synthase 1 (COX-1) ChEMBL. No reference
IC50 (binding) = 11.1 uM Inhibition of Prostaglandin G/H synthase 1 (COX-1) ChEMBL. No reference
Inhibition (binding) = 63 % Compound was evaluated in vivo for inhibitory activity against Prostaglandin G/H synthase 2 in air pouch model of inflammation at 2 mg/kg ChEMBL. No reference
Inhibition (binding) = 63 % Compound was evaluated in vivo for inhibitory activity against Prostaglandin G/H synthase 2 in air pouch model of inflammation at 2 mg/kg ChEMBL. No reference
Ratio (binding) = 693 Relative activity against COX-1/COX-2 ChEMBL. No reference
Ratio (binding) = 693 Relative activity against COX-1/COX-2 ChEMBL. No reference

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

No literature references available for this target.

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