Detailed information for compound 116427

Basic information

Technical information
  • TDR Targets ID: 116427
  • Name: 3-(2-fluorophenyl)-4-(4-methylsulfonylphenyl) -1,3-oxazol-2-one
  • MW: 333.334 | Formula: C16H12FNO4S
  • H donors: 0 H acceptors: 3 LogP: 2.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1n1c(=O)occ1c1ccc(cc1)S(=O)(=O)C
  • InChi: 1S/C16H12FNO4S/c1-23(20,21)12-8-6-11(7-9-12)15-10-22-16(19)18(15)14-5-3-2-4-13(14)17/h2-10H,1H3
  • InChiKey: HPDQSHOMJINQDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)oxazol-2-one
  • 3-(2-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-oxazolone
  • 3-(2-fluorophenyl)-4-(4-mesylphenyl)-4-oxazolin-2-one
  • 3-(2-fluorophenyl)-4-(4-mesylphenyl)oxazol-2-one

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
Homo sapiens prostaglandin-endoperoxide synthase 1 (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
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1915 0.7349
Schistosoma mansoni neuropeptide F-like receptor 0.0178 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0027 0.0415 0.0415
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1915 0.1915
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0178 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0178 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0061 0.2585 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Schistosoma mansoni opsin-like receptor 0.0178 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0178 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0178 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0178 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0056 0.5
Schistosoma mansoni peroxidasin 0.0063 0.2724 0.2724
Brugia malayi neuropeptide F receptor 0.0178 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.2585 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni amine GPCR 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.2602 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1915 0.7349
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.2108 0.7799
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.2724 0.2724
Loa Loa (eye worm) TYRA-2 protein 0.0178 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0178 1 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0042 0.1348 0.4296
Brugia malayi ORL1-like opioid receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Mycobacterium leprae putative cytochrome p450 0.0021 0.0056 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus g protein coupled receptor 0.0178 1 1
Schistosoma mansoni histamine h1 receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Brugia malayi G-protein coupled receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0039 0.1172 0.4383
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.2479 0.2479
Brugia malayi Animal haem peroxidase family protein 0.0063 0.2724 0.2724
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis sex peptide receptor 0.0178 1 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.2724 0.2724
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.2724 0.2724
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0056 0.0056
Onchocerca volvulus Neuropeptide F receptor homolog 0.0178 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.2479 0.2479
Schistosoma mansoni amine GPCR 0.0178 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0415 0.0415
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0178 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2319 0.889
Loa Loa (eye worm) G-protein coupled receptor 0.0178 1 1
Brugia malayi AKH receptor 0.0178 1 1
Onchocerca volvulus Dual oxidase homolog 0.0063 0.2724 0.2724
Echinococcus granulosus neuropeptide s receptor 0.0178 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0178 1 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.2479 0.2479
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.2319 0.889
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.2108 0.7799
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis neuropeptide receptor 0.0178 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.2479 0.2479
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Brugia malayi hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.2108 0.7799
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Onchocerca volvulus Peroxidasin homolog 0.0063 0.2724 0.2724
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus neuropeptide receptor 0.0178 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0937 0.5
Onchocerca volvulus 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1915 0.1915
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0178 1 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis fmrfamide receptor 0.0178 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0178 1 1
Brugia malayi Blistered cuticle protein 3 0.0063 0.2724 0.2724
Brugia malayi Cytochrome P450 family protein 0.0039 0.1172 0.1172
Onchocerca volvulus Peroxidasin homolog 0.0063 0.2724 0.2724
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2602 0.2602
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0178 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2602 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Onchocerca volvulus 0.0178 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.18 0.18
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.2319 0.2319
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Trypanosoma cruzi cytochrome P450, putative 0.0039 0.1172 0.4412
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.2724 0.2724
Onchocerca volvulus 0.0063 0.2724 0.2724
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1915 0.1915
Echinococcus multilocularis g protein coupled receptor 0.0178 1 1
Schistosoma mansoni neuropeptide receptor 0.0178 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0039 0.1172 0.4412
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.2602 1
Trypanosoma brucei cytochrome P450, putative 0.0039 0.1172 0.4412
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0178 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Leishmania major cytochrome p450-like protein 0.0039 0.1172 0.4383
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0178 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.1172 0.1172
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Onchocerca volvulus Peroxidase homolog 0.0063 0.2724 0.2724
Brugia malayi Cytochrome P450 family protein 0.006 0.2508 0.2508
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) cytochrome P450 0.0021 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0178 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0178 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1915 0.1915
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus multilocularis allatostatin A receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0039 0.1172 0.1172
Echinococcus granulosus neuropeptide receptor A26 0.0178 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1915 0.691
Brugia malayi Cytochrome P450 family protein 0.0021 0.0056 0.0056
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0061 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Brugia malayi Dopamine receptor protein 1 0.0178 1 1
Schistosoma mansoni neuropeptide receptor 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0061 0.2585 0.2585
Brugia malayi neuropeptide F receptor 0.0178 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0042 0.1348 0.5106
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0178 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0178 1 1
Schistosoma mansoni amine GPCR 0.0178 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Schistosoma mansoni opsin-like receptor 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Toxoplasma gondii hypothetical protein 0.0054 0.2108 0.8101
Brugia malayi hypothetical protein 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1915 0.1915
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Brugia malayi sulfakinin receptor protein 0.0178 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0937 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0178 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0178 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0178 1 1
Brugia malayi jmjC domain containing protein 0.006 0.2479 0.2479
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.2602 0.2602
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0061 0.2585 0.2585
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0937 0.0937
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0178 1 1
Brugia malayi Peroxidasin 0.0063 0.2724 0.2724
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0178 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0178 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.18 0.18
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trypanosoma brucei protein kinase, putative 0.0051 0.1915 0.7349
Echinococcus granulosus neuropeptide FF receptor 2 0.0178 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus granulosus sex peptide receptor 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0178 1 1
Brugia malayi RE15519p 0.0178 1 1
Brugia malayi G-protein coupled receptor 0.0178 1 1
Brugia malayi Serotonin receptor 0.0178 1 1
Echinococcus granulosus peroxidasin 0.0063 0.2724 0.2724
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0056 0.0216
Echinococcus multilocularis g protein coupled receptor 0.0178 1 1
Schistosoma mansoni opsin-like receptor 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0021 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus granulosus G protein coupled receptor 139 0.0178 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0178 1 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1915 0.1915
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.2602 0.2602
Schistosoma mansoni alpha-1 adrenergic receptor 0.0178 1 1
Brugia malayi Serotonin receptor 0.0178 1 1
Schistosoma mansoni amine GPCR 0.0178 1 1
Onchocerca volvulus 0.0063 0.2724 0.2724
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1915 0.7349
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1915 0.7301
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0937 0.0937
Schistosoma mansoni myosin xvIII 0.0178 1 1
Schistosoma mansoni biogenic amine receptor 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0937 0.0937
Brugia malayi Animal haem peroxidase family protein 0.0063 0.2724 0.2724
Echinococcus granulosus fmrfamide receptor 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni biogenic amine receptor 0.0178 1 1
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.2724 0.2724
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1915 0.691
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0061 0.2585 1
Brugia malayi cytochrome P450 0.0021 0.0056 0.0056
Brugia malayi jmjC domain containing protein 0.006 0.2479 0.2479
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0178 1 1
Onchocerca volvulus 0.0063 0.2724 0.2724
Brugia malayi Animal haem peroxidase family protein 0.0063 0.2724 0.2724
Onchocerca volvulus Peroxidase homolog 0.0063 0.2724 0.2724
Echinococcus multilocularis orexin receptor type 2 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0178 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1915 1
Brugia malayi putative neuropeptide receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0819 0.0819
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus orexin receptor type 2 0.0178 1 1
Brugia malayi Dopamine receptor 0.0178 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1915 0.7359
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0057 0.2319 0.889
Echinococcus granulosus 7tm_1 domain containing protein 0.0178 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2602 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.2602 1
Echinococcus granulosus neuropeptides capa receptor 0.0178 1 1
Loa Loa (eye worm) CYP4Cod1 0.0039 0.1172 0.1172
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.18 0.18
Echinococcus multilocularis neuropeptides capa receptor 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus granulosus g protein coupled receptor 0.0178 1 1
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0178 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.2602 0.2602
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0061 0.2585 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis neuropeptide receptor 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0178 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0178 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0178 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1915 0.7301
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Echinococcus multilocularis peroxidasin 0.0063 0.2724 0.2724
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus granulosus g protein coupled receptor 0.0178 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0178 1 1
Echinococcus granulosus neuropeptide receptor 0.0178 1 1
Brugia malayi Dopamine receptor protein 2 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0937 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0178 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0178 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Schistosoma mansoni biogenic amine receptor 0.0178 1 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.2602 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Schistosoma mansoni peroxidasin 0.0063 0.2724 0.2724
Echinococcus granulosus serotonin receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2319 0.2319
Onchocerca volvulus 0.0178 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0061 0.2585 1
Brugia malayi hypothetical protein 0.0063 0.2724 0.2724
Schistosoma mansoni neuropeptide f receptor 76f 0.0178 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Echinococcus multilocularis g protein coupled receptor 0.0178 1 1
Echinococcus granulosus g-protein coupled receptor 0.0178 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.2724 0.2724
Loa Loa (eye worm) neuropeptide F receptor 0.0178 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Echinococcus multilocularis G-protein coupled receptor, putative 0.0178 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0178 1 1
Schistosoma mansoni adenoreceptor 0.0178 1 1
Onchocerca volvulus 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0027 0.0415 0.0415
Echinococcus multilocularis neuropeptide FF receptor 2 0.0178 1 1
Brugia malayi G protein-coupled receptor 0.0178 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.2076 0.2076
Echinococcus multilocularis neuropeptide Y receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Schistosoma mansoni neuropeptide receptor 0.0178 1 1
Schistosoma mansoni amine GPCR 0.0178 1 1
Schistosoma mansoni neuropeptide receptor 0.0178 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.2479 0.2479
Onchocerca volvulus 0.0178 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.2508 0.2508
Schistosoma mansoni biogenic amine (5HT) receptor 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.2724 0.2724
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0027 0.0415 0.0415
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0042 0.1348 0.4296
Schistosoma mansoni cytochrome P450 0.0021 0.0056 0.0056
Brugia malayi larval opioid receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0178 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0178 1 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.2319 0.889
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0061 0.2585 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Brugia malayi follicle stimulating hormone receptor 0.0178 1 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0027 0.0415 0.0415
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0027 0.0415 0.0415
Brugia malayi hypothetical protein 0.0178 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0178 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1915 0.691
Echinococcus granulosus rhodopsin orphan GPCR 0.0178 1 1
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0178 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1915 0.7349
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.2479 0.2479
Loa Loa (eye worm) G-protein coupled receptor 0.0178 1 1
Brugia malayi Melatonin receptor type 1A 0.0178 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0178 1 1
Brugia malayi Cytochrome P450 family protein 0.0039 0.1172 0.1172
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.2479 0.2479
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.2319 0.2319
Entamoeba histolytica hypothetical protein 0.0035 0.0937 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0178 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0819 0.0819
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1915 0.7349
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Onchocerca volvulus 0.0178 1 1
Echinococcus multilocularis 0.0021 0.0056 0.0056
Echinococcus multilocularis rhodopsin orphan GPCR 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.2724 0.2724
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.18 0.18
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1915 0.691
Echinococcus multilocularis serotonin receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Brugia malayi GnHR receptor homolog 0.0178 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0178 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0178 1 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0061 0.2585 0.2585
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0178 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0178 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0178 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0178 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.0937 0.0937
Echinococcus multilocularis fmrfamide receptor 0.0178 1 1
Echinococcus multilocularis somatostatin receptor 0.0178 1 1
Echinococcus multilocularis serotonin receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Brugia malayi MAP kinase sur-1 0.0051 0.1915 0.1915
Echinococcus multilocularis neuropeptide Y receptor 0.0178 1 1
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.2724 0.2724
Onchocerca volvulus 0.0178 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0178 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0178 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0061 0.2585 1
Brugia malayi hypothetical protein 0.0035 0.0937 0.0937
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0178 1 1
Echinococcus granulosus hypothetical protein 0.0178 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0178 1 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.2319 0.2319
Echinococcus granulosus allatostatin A receptor 0.0178 1 1
Loa Loa (eye worm) hypothetical protein 0.0178 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0178 1 1
Brugia malayi hypothetical protein 0.0178 1 1
Schistosoma mansoni jumonji domain containing protein 0.006 0.2479 0.2479
Echinococcus granulosus somatostatin receptor 0.0178 1 1

Activities

Activity type Activity value Assay description Source Reference
ED35 (functional) = 2.4 mg kg-1 Inhibition of carrageenan paw edema in rats ChEMBL. 10649977
ED50 (functional) > 3 mg kg-1 In vivo inhibition of adjuvant arthritis in rats ChEMBL. 10649977
ED50 (functional) = 32 mg kg-1 In vivo inhibition of carrageenan-induced hyperalgesia in rats ChEMBL. 10649977
IC50 (binding) = 1.873 Binding affinity of the compound towards Prostaglandin G/H synthase 1 ChEMBL. 14552773
IC50 (binding) = 3.18 Binding affinity of the compound towards Prostaglandin G/H synthase 2 ChEMBL. 14552773
IC50 (binding) = 0.66 uM Inhibitory activity against prostaglandin G/H synthase 2 ChEMBL. 10649977
IC50 (binding) = 0.66 uM Inhibitory activity against prostaglandin G/H synthase 2 ChEMBL. 10649977
IC50 (binding) = 13.4 uM Inhibitory activity against prostaglandin G/H synthase 1 ChEMBL. 10649977
IC50 (binding) = 13.4 uM Inhibitory activity against prostaglandin G/H synthase 1 ChEMBL. 10649977
Log IC50 (binding) = 1.873 mM Binding affinity of the compound towards Prostaglandin G/H synthase 1 ChEMBL. 14552773
Log IC50 (binding) = 3.18 mM Binding affinity of the compound towards Prostaglandin G/H synthase 2 ChEMBL. 14552773
NT (functional) 0 In vivo inhibition of pyresis in rats;NT means not tested ChEMBL. 10649977
NT (functional) 0 In vivo inhibition of carrageenan-induced air pouch in rats;NT means not tested ChEMBL. 10649977
Ratio (binding) = 20 Selectivity ratio of COX-1/COX-2 ChEMBL. 10649977
Ratio (binding) = 20 Selectivity ratio of COX-1/COX-2 ChEMBL. 10649977
Selectivity (binding) = 1.301 Ratio of log IC50 Prostaglandin G/H synthase 1 to that of IC50 Prostaglandin G/H synthase 2 ChEMBL. 14552773
Selectivity (binding) = 1.301 Ratio of log IC50 Prostaglandin G/H synthase 1 to that of IC50 Prostaglandin G/H synthase 2 ChEMBL. 14552773

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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