Detailed information for compound 179094

Basic information

Technical information
  • TDR Targets ID: 179094
  • Name: 2-[4-(3-ethylsulfanylphenyl)phenyl]propanoic acid
  • MW: 286.389 | Formula: C17H18O2S
  • H donors: 1 H acceptors: 2 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1cccc(c1)c1ccc(cc1)C(C(=O)O)C
  • InChi: 1S/C17H18O2S/c1-3-20-16-6-4-5-15(11-16)14-9-7-13(8-10-14)12(2)17(18)19/h4-12H,3H2,1-2H3,(H,18,19)
  • InChiKey: QGKUCOODYMVNGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[3-(ethylthio)phenyl]phenyl]propanoic acid
  • 2-[4-[3-(ethylthio)phenyl]phenyl]propionic acid

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
Ovis aries Cyclooxygenase-1 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
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus granulosus peroxidasin 0.0079 0.057 0.093
Loa Loa (eye worm) ACC-1 protein 0.0048 0.0192 0.0409
Brugia malayi RNA, U transporter 1 0.0092 0.0721 0.2467
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.052 0.7408
Trypanosoma brucei antigen, putative 0.0058 0.0309 0.4406
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0058 0.0309 0.0776
Schistosoma mansoni ATP-binding cassette transporter 0.0175 0.1723 0.2813
Giardia lamblia Cathepsin B precursor 0.009 0.0702 0.5
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0048 0.0192 0.0314
Echinococcus multilocularis glutamate receptor 4 0.0041 0.0103 0.0103
Loa Loa (eye worm) glutamate receptor 1 0.0215 0.2217 0.4715
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Mycobacterium ulcerans peptide deformylase 0.0226 0.2343 1
Trypanosoma cruzi kinesin, putative 0.004 0.0099 0.0033
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus multilocularis inositol monophosphatase 1 0.0075 0.052 0.052
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.052 0.152
Echinococcus multilocularis Ribosomal protein S1, RNA binding domain 0.007 0.046 0.046
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Loa Loa (eye worm) hypothetical protein 0.0096 0.0765 0.1628
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0048 0.0192 0.0192
Brugia malayi Blistered cuticle protein 3 0.0079 0.057 0.195
Echinococcus granulosus cathepsin b 0.0274 0.2922 0.4771
Trypanosoma brucei calpain-like protein, putative 0.0058 0.0309 0.4406
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0058 0.0309 0.0776
Onchocerca volvulus Peroxidasin homolog 0.0079 0.057 0.7105
Echinococcus multilocularis receptor type guanylyl cyclase 0.004 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0052 0.0243 0.0516
Schistosoma mansoni peroxidasin 0.0079 0.057 0.093
Echinococcus multilocularis cathepsin b 0.0274 0.2922 0.2922
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0084 0.0628 0.0628
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 0.2922 0.4771
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0226 0.2343 1
Echinococcus multilocularis glutamate receptor 2 0.0255 0.2697 0.2697
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0048 0.0192 0.0314
Toxoplasma gondii cathepsin B 0.009 0.0702 0.2997
Echinococcus multilocularis glutamate receptor 2 0.0215 0.2217 0.2217
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0048 0.0192 0.0314
Trypanosoma brucei calpain-like protein, putative 0.0058 0.0309 0.4406
Brugia malayi Animal haem peroxidase family protein 0.0079 0.057 0.195
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.019 0.0311
Loa Loa (eye worm) hypothetical protein 0.0421 0.4702 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Echinococcus granulosus geminin 0.0538 0.6124 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.019 0.019
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0042 0.0144
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0058 0.0309 0.0776
Echinococcus granulosus calpain A 0.0058 0.0309 0.0505
Onchocerca volvulus 0.0048 0.0192 0.1518
Trypanosoma brucei kinesin, putative 0.004 0.0099 0.1408
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0075 0.052 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0048 0.0192 0.0314
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0274 0.2922 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.0776
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0214 0.2195 0.2195
Loa Loa (eye worm) RGC/RGC protein kinase 0.004 0.009 0.0191
Echinococcus granulosus glycine receptor subunit beta 0.0048 0.0192 0.0314
Schistosoma mansoni metabotropic glutamate receptor 0.0069 0.0442 0.0721
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.019 0.0405
Schistosoma mansoni glutamate receptor AMPA 0.0175 0.1723 0.2813
Loa Loa (eye worm) MH2 domain-containing protein 0.0246 0.2589 0.5506
Brugia malayi calpain family protein 1 0.0153 0.1466 0.5016
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0044 0.0147 0.0241
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0192 0.0192
Loa Loa (eye worm) cathepsin B 0.009 0.0702 0.1494
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0192 0.0314
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0048 0.0192 0.0658
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Schistosoma mansoni glutamate receptor NMDA 0.0228 0.2368 0.3867
Echinococcus multilocularis glycine receptor subunit beta 0.0048 0.0192 0.0192
Echinococcus granulosus glutamate receptor 2 0.0255 0.2697 0.4404
Brugia malayi hypothetical protein 0.0079 0.057 0.195
Trypanosoma cruzi kinesin, putative 0.004 0.0099 0.0033
Trypanosoma brucei calpain-like protein, putative 0.0058 0.0309 0.4406
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.019 0.0311
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0048 0.0192 0.0314
Brugia malayi Inositol-1 0.0075 0.052 0.1781
Schistosoma mansoni hypothetical protein 0.0036 0.0042 0.0069
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.009 0.0702 1
Echinococcus granulosus calpain 5 0.0058 0.0309 0.0505
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0048 0.0192 0.0409
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.3587
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0048 0.0192 0.0658
Brugia malayi Glutamate receptor 2 precursor 0.0215 0.2217 0.7588
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0192 0.0314
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0048 0.0192 0.0409
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0192 0.0314
Brugia malayi Receptor family ligand binding region containing protein 0.0046 0.0166 0.057
Onchocerca volvulus Dual oxidase homolog 0.0079 0.057 0.7105
Chlamydia trachomatis peptide deformylase 0.0226 0.2343 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0153 0.1466 0.2393
Brugia malayi Animal haem peroxidase family protein 0.0079 0.057 0.195
Echinococcus granulosus calpain 7 C02 family 0.0058 0.0309 0.0505
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Loa Loa (eye worm) hypothetical protein 0.0084 0.0628 0.1336
Onchocerca volvulus 0.0048 0.0192 0.1518
Loa Loa (eye worm) hypothetical protein 0.0036 0.0042 0.009
Trypanosoma brucei calpain-like protein, putative 0.0058 0.0309 0.4406
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0048 0.0192 0.0314
Brugia malayi Cation transporter family protein 0.0048 0.0192 0.0658
Echinococcus multilocularis calpain 7 (C02 family) 0.0058 0.0309 0.0309
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0048 0.0192 0.0192
Echinococcus granulosus glutamate NMDA receptor subunit 0.0228 0.2368 0.3867
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus multilocularis tyrosine kinase 0.004 0.009 0.009
Trypanosoma brucei Polypeptide deformylase 1 0.0086 0.0652 0.9288
Brugia malayi Metabotropic glutamate receptor precursor. 0.0075 0.0519 0.1775
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0219
Echinococcus granulosus atrial natriuretic peptide receptor 0.004 0.009 0.0146
Brugia malayi Guanylyl cyclase protein 23 0.004 0.009 0.0307
Echinococcus multilocularis geminin 0.0538 0.6124 0.6124
Entamoeba histolytica protein kinase, putative 0.004 0.0099 0.0214
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.052 0.152
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0048 0.0192 0.0192
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0243 0.0831
Echinococcus multilocularis atrial natriuretic peptide receptor 0.004 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0046 0.0166 0.0354
Echinococcus granulosus cathepsin b 0.0274 0.2922 0.4771
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0192 0.0658
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0226 0.2343 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.2203 0.2203
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Schistosoma mansoni glutamate receptor NMDA 0.0291 0.3126 0.5104
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.009 0.0702 1
Onchocerca volvulus Putative nachr subunit 0.0048 0.0192 0.1518
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0255 0.2697 0.4404
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Brugia malayi Animal haem peroxidase family protein 0.0079 0.057 0.195
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0058 0.0309 0.4406
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.016 0.155 0.253
Onchocerca volvulus 0.0096 0.0765 1
Entamoeba histolytica calpain large subunit domain III containing protein 0.004 0.0099 0.0214
Brugia malayi hypothetical protein 0.004 0.009 0.0307
Brugia malayi Receptor family ligand binding region containing protein 0.004 0.009 0.0307
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0075 0.052 0.7029
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.3587
Echinococcus multilocularis calpain 5 0.0058 0.0309 0.0309
Onchocerca volvulus 0.0048 0.0192 0.1518
Plasmodium vivax calpain, putative 0.0058 0.0309 0.1321
Loa Loa (eye worm) glutamate receptor 0.0075 0.0519 0.1103
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.057 0.1212
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0075 0.052 0.222
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0069 0.0442 0.0442
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0192 0.0314
Echinococcus multilocularis peroxidasin 0.0079 0.057 0.057
Echinococcus multilocularis nmda type glutamate receptor 0.0116 0.1012 0.1012
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Schistosoma mansoni peroxidasin 0.0079 0.057 0.093
Schistosoma mansoni tyrosine kinase 0.004 0.009 0.0146
Echinococcus granulosus nmda type glutamate receptor 0.029 0.3117 0.5089
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.0776
Echinococcus granulosus glycine receptor subunit beta 0.0048 0.0192 0.0314
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 0.2922 0.4771
Onchocerca volvulus Peroxidase homolog 0.0079 0.057 0.7105
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.057 0.1212
Loa Loa (eye worm) calpain 0.0058 0.0309 0.0658
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Echinococcus granulosus calpain 0.0058 0.0309 0.0505
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0255 0.2697 0.2697
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0048 0.0192 0.0409
Loa Loa (eye worm) hypothetical protein 0.0113 0.0976 0.2075
Echinococcus granulosus glutamate receptor 2 0.0185 0.1847 0.3016
Schistosoma mansoni hypothetical protein 0.0538 0.6124 1
Loa Loa (eye worm) calpain 5 0.004 0.0099 0.021
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0048 0.0192 0.0409
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0192 0.0192
Schistosoma mansoni hypothetical protein 0.0538 0.6124 1
Echinococcus granulosus glutamate receptor subunit protein glur 0.0111 0.0954 0.1557
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0143 0.1344 0.452
Echinococcus granulosus metabotropic glutamate receptor 2 0.0069 0.0442 0.0721
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0058 0.0309 0.0776
Echinococcus multilocularis glycine receptor subunit beta 0.0048 0.0192 0.0192
Onchocerca volvulus 0.0048 0.0192 0.1518
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0048 0.0192 0.0314
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.007 0.046 0.046
Brugia malayi Peroxidasin 0.0079 0.057 0.195
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Loa Loa (eye worm) LGC-31 protein 0.0048 0.0192 0.0409
Onchocerca volvulus Chorion peroxidase homolog 0.0079 0.057 0.7105
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0048 0.0192 0.0192
Leishmania major kinesin, putative 0.004 0.0099 0.015
Loa Loa (eye worm) RGC/RGC protein kinase 0.004 0.009 0.0191
Giardia lamblia Cathepsin B precursor 0.009 0.0702 0.5
Echinococcus granulosus glutamate receptor ionotropic kainate 0.007 0.046 0.0751
Schistosoma mansoni inositol monophosphatase 0.0075 0.052 0.0849
Schistosoma mansoni protein kinase 0.004 0.009 0.0146
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.019 0.0311
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0048 0.0192 0.0658
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0048 0.0192 0.0658
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0192 0.0658
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0058 0.0309 0.0776
Onchocerca volvulus 0.0079 0.057 0.7105
Onchocerca volvulus 0.0079 0.057 0.7105
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0048 0.0192 0.0314
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.4406
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0048 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0035 0.0038 0.013
Treponema pallidum polypeptide deformylase (def) 0.0226 0.2343 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.0084 0.0628 0.1025
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.016 0.155 0.253
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.2203 0.2203
Brugia malayi cathepsin B-like cysteine proteinase 0.0274 0.2922 1
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0228 0.2368 0.2368
Onchocerca volvulus Peroxidase homolog 0.0079 0.057 0.7105
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.019 0.0311
Onchocerca volvulus 0.0079 0.057 0.7105
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Schistosoma mansoni tyrosine kinase 0.004 0.009 0.0146
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.0191
Echinococcus multilocularis nAChR subunit 0.0048 0.0192 0.0192
Trypanosoma brucei Peptide deformylase 2 0.0086 0.0652 0.9288
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus granulosus nmda type glutamate receptor 0.0116 0.1012 0.1652
Echinococcus granulosus tyrosine kinase 0.004 0.009 0.0146
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.016 0.155 0.253
Onchocerca volvulus 0.0048 0.0192 0.1518
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.004 0.009 0.0191
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0048 0.0192 0.0314
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.0776
Loa Loa (eye worm) transcription factor SMAD2 0.0246 0.2589 0.5506
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0048 0.0192 0.0409
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.019 0.0652
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.3587
Trypanosoma brucei cysteine peptidase C (CPC) 0.009 0.0702 1
Plasmodium vivax peptide deformylase, putative 0.0226 0.2343 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Schistosoma mansoni Mername-AA248 (C02 family) 0.0058 0.0309 0.0505
Toxoplasma gondii hypothetical protein 0.0226 0.2343 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.2203 0.3598
Brugia malayi Glutamate receptor 1 precursor 0.0215 0.2217 0.7588
Brugia malayi calpain family protein 1 0.0153 0.1466 0.5016
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.0652 0.1986
Schistosoma mansoni calpain C (C02 family) 0.0058 0.0309 0.0505
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.019 0.0311
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.016 0.155 0.155
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.0652 0.1986
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0143 0.1344 0.4793
Schistosoma mansoni hypothetical protein 0.007 0.046 0.0751
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0214 0.2203 0.2203
Echinococcus multilocularis calpain family protein 1, d 0.0113 0.0976 0.0976
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0048 0.0192 0.0192
Loa Loa (eye worm) calpain family protein 1 0.0153 0.1466 0.3117
Loa Loa (eye worm) hypothetical protein 0.0274 0.2922 0.6214
Brugia malayi calpain 7 0.0058 0.0309 0.1059
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0048 0.0192 0.0658
Schistosoma mansoni calpain (C02 family) 0.0058 0.0309 0.0505
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.057 0.1212
Brugia malayi Cation transporter family protein 0.0048 0.0192 0.0658
Echinococcus granulosus calpain A 0.016 0.155 0.253
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Loa Loa (eye worm) hypothetical protein 0.0421 0.4702 1
Brugia malayi calpain 5 0.004 0.0099 0.0338
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.0652 0.1986
Loa Loa (eye worm) hypothetical protein 0.0136 0.1255 0.2669
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Loa Loa (eye worm) hypothetical protein 0.0046 0.0166 0.0354
Echinococcus multilocularis glutamate receptor 2 0.0185 0.1847 0.1847
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0243 0.0831
Echinococcus granulosus glutamate receptor 1 0.0041 0.0103 0.0168
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.009 0.0702 0.2163
Echinococcus granulosus receptor type guanylyl cyclase 0.004 0.009 0.0146
Echinococcus multilocularis glutamate receptor NMDA 0.0076 0.0531 0.0531
Brugia malayi MH2 domain containing protein 0.0246 0.2589 0.886
Echinococcus granulosus snurportin 1 0.0345 0.3782 0.6176
Schistosoma mansoni calpain-7 (C02 family) 0.0061 0.0348 0.0568
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0048 0.0192 0.0409
Loa Loa (eye worm) glutamate receptor 2 0.0175 0.1723 0.3664
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Echinococcus granulosus glutamate receptor NMDA 0.0076 0.0531 0.0867
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Onchocerca volvulus 0.0048 0.0192 0.1518
Schistosoma mansoni glutamate receptor kainate 0.0175 0.1723 0.2813
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0274 0.2922 0.4771
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Onchocerca volvulus Peroxidasin homolog 0.0079 0.057 0.7105
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0048 0.0192 0.0314
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0219
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0058 0.0309 0.0776
Schistosoma mansoni hypothetical protein 0.0345 0.3782 0.6176
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus multilocularis NMDA receptor 0.007 0.046 0.046
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0048 0.0192 0.0192
Loa Loa (eye worm) hypothetical protein 0.0041 0.0103 0.0219
Echinococcus multilocularis hypothetical protein 0.0058 0.0309 0.0309
Loa Loa (eye worm) RGC/RGC protein kinase 0.004 0.009 0.0191
Schistosoma mansoni glutamate receptor kainate 0.0175 0.1723 0.2813
Brugia malayi Cation transporter family protein 0.0048 0.0192 0.0658
Echinococcus granulosus glycine receptor subunit alpha 1 0.0048 0.0192 0.0314
Loa Loa (eye worm) inositol-1 0.0075 0.052 0.1106
Echinococcus granulosus glutamate receptor 4 0.0041 0.0103 0.0168
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0048 0.0192 0.0658
Echinococcus granulosus nAChR subunit 0.0048 0.0192 0.0314
Echinococcus multilocularis snurportin 1 0.0345 0.3782 0.3782
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0.0652 0.9183
Brugia malayi metabotropic glutamate receptor type 2 0.0055 0.0276 0.0944
Echinococcus multilocularis cathepsin b 0.0274 0.2922 0.2922
Echinococcus granulosus inositol monophosphatase 1 0.0075 0.052 0.0849
Brugia malayi Animal haem peroxidase family protein 0.0079 0.057 0.195
Schistosoma mansoni glutamate receptor kainate 0.0175 0.1723 0.2813
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Schistosoma mansoni inositol monophosphatase 0.0075 0.052 0.0849
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0048 0.0192 0.0192
Brugia malayi Animal haem peroxidase family protein 0.0079 0.057 0.195
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0058 0.0309 0.0776
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.0652 0.1986
Echinococcus multilocularis glutamate receptor subunit protein glur 0.0111 0.0954 0.0954
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0048 0.0192 0.0658
Brugia malayi excitatory GABA receptor EXP-1A 0.0048 0.0192 0.0658
Schistosoma mansoni glutamate receptor AMPA 0.0175 0.1723 0.2813
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.007 0.046 0.0751
Brugia malayi metabotropic GABA-B receptor subtype 2 0.004 0.009 0.0307
Giardia lamblia Cathepsin B precursor 0.009 0.0702 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.2203 0.3598
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0345 0.3782 0.8045
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Plasmodium falciparum peptide deformylase 0.0226 0.2343 1
Loa Loa (eye worm) ACC-1 protein 0.0048 0.0192 0.0409
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0226 0.2343 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0274 0.2922 0.4771
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0243 0.0516
Loa Loa (eye worm) calpain family protein 1 0.0113 0.0976 0.2075
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0048 0.0192 0.0314
Echinococcus granulosus Ribosomal protein S1 RNA binding domain 0.007 0.046 0.0751
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.009 0.0702 0.1147
Echinococcus multilocularis nmda type glutamate receptor 0.029 0.3117 0.3117
Echinococcus multilocularis calpain 0.0058 0.0309 0.0309
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0214 0.2203 0.3598
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0048 0.0192 0.0658
Loa Loa (eye worm) hypothetical protein 0.0153 0.1466 0.3117
Schistosoma mansoni metabotropic glutamate receptor 0.0055 0.0276 0.0451
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Loa Loa (eye worm) animal heme peroxidase 0.0079 0.057 0.1212
Schistosoma mansoni nAChR subunit 0.0048 0.0192 0.0314
Loa Loa (eye worm) blistered cuticle protein 3 0.0079 0.057 0.1212
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0048 0.0192 0.0314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.0048 0.0192 0.0409
Echinococcus multilocularis calpain A 0.016 0.155 0.155
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0048 0.0192 0.0658
Schistosoma mansoni calpain-7 (C02 family) 0.0061 0.0348 0.0568
Loa Loa (eye worm) hypothetical protein 0.0079 0.057 0.1212
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0046 0.0166 0.0354

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.33 uM In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human ChEMBL. 10091674
IC50 (binding) = 0.33 uM In vitro inhibitory activity against Prostaglandin G/H synthase 2 (COX-2) in human ChEMBL. 10091674
IC50 (binding) = 3.1 uM In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep ChEMBL. 10091674
IC50 (binding) = 3.1 uM In vitro inhibitory activity against Prostaglandin G/H synthase 1 in sheep ChEMBL. 10091674
Selectivity (binding) = 9.4 Selectivity ratio of COX-1 to that of COX-2 ChEMBL. 10091674

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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