Detailed information for compound 668909

Basic information

Technical information
  • TDR Targets ID: 668909
  • Name: ethyl 1-[2-(4-bromophenoxy)acetyl]piperidine- 4-carboxylate
  • MW: 370.238 | Formula: C16H20BrNO4
  • H donors: 0 H acceptors: 2 LogP: 2.83 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)C(=O)COc1ccc(cc1)Br
  • InChi: 1S/C16H20BrNO4/c1-2-21-16(20)12-7-9-18(10-8-12)15(19)11-22-14-5-3-13(17)4-6-14/h3-6,12H,2,7-11H2,1H3
  • InChiKey: OYOFVRWZGNVVDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-(4-bromophenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester
  • 1-[2-(4-bromophenoxy)acetyl]isonipecotic acid ethyl ester
  • ethyl 1-[2-(4-bromophenoxy)ethanoyl]piperidine-4-carboxylate
  • ZINC01117374
  • STK181957
  • MLS000063152
  • SMR000072089
  • ethyl 1-[(4-bromophenoxy)acetyl]-4-piperidinecarboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0791 1 1
Plasmodium vivax SET domain protein, putative 0.003 0.0313 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0313 0.0313
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0006 0.0006
Schistosoma mansoni nuclear hormone receptor 0.0006 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0088 0.0088
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0088 0.0082
Trypanosoma brucei malate dehydrogenase-related 0.0307 0.3846 1
Schistosoma mansoni coup transcription factor 0.0012 0.0088 0.0088
Leishmania major malate dehydrogenase 0.0307 0.3846 0.3732
Entamoeba histolytica malate dehydrogenase, putative 0.0307 0.3846 0.3842
Loa Loa (eye worm) malate dehydrogenase 0.0307 0.3846 0.3842
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0006 0.0006 0.0006
Leishmania major malate dehydrogenase, putative 0.0307 0.3846 0.3732
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0182 0.0176
Brugia malayi ecdysteroid receptor 0.0012 0.0088 0.0082
Schistosoma mansoni malate dehydrogenase 0.0791 1 1
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0307 0.3846 0.3842
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0088 0.0082
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0006 0.0006 0.0006
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0009
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1645 0.164
Chlamydia trachomatis malate dehydrogenase 0.0307 0.3846 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0307 0.3846 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0088 0.0088
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0088 0.0082
Schistosoma mansoni cpg binding protein 0.0031 0.0328 0.0328
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0088 0.0082
Echinococcus granulosus cytosolic malate dehydrogenase 0.0307 0.3846 0.3842
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Echinococcus multilocularis malate dehydrogenase 0.0307 0.3846 0.3842
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0088 0.0088
Leishmania major malate dehydrogenase, putative 0.0791 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0739 0.0739
Onchocerca volvulus 0.0012 0.0088 0.0284
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0006 0.0006 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0088 0.0082
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0088 0.0082
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0307 0.3846 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0006 0.0006 0.0006
Echinococcus granulosus muscleblind protein 0.0299 0.374 0.3736
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0088 0.0082
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0307 0.3846 0.3842
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0009
Onchocerca volvulus 0.0006 0.0006 0.0001
Brugia malayi Pre-SET motif family protein 0.003 0.0313 0.0308
Loa Loa (eye worm) hypothetical protein 0.0791 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0006 0.0006 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0088 0.0088
Brugia malayi nuclear receptor NHR-88 0.0012 0.0088 0.0082
Schistosoma mansoni ap endonuclease 0.002 0.0182 0.0182
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0006 0.0006 0.0006
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0088 0.0088
Plasmodium falciparum L-lactate dehydrogenase 0.0791 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0088 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Echinococcus multilocularis muscleblind protein 0.0299 0.374 0.3736
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0088 0.0284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.1645 0.164
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0015 0.0015
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0307 0.3846 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1645 0.1645
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0088 0.0082
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0182 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0307 0.3846 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0006 0.0006 0.0006
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0088 0.0082
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0307 0.3846 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.0307 0.3846 0.3846
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2538 0.2533
Echinococcus multilocularis lactate dehydrogenase protein 0.0791 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0088 0.0082
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0006 0.0006 0.0006
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0313 0.0308
Schistosoma mansoni nuclear receptor 0.0006 0.0006 0.0006
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0017 0.0029
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0088 0.0088
Trypanosoma brucei cytosolic malate dehydrogenase 0.0307 0.3846 1
Echinococcus multilocularis L lactate dehydrogenase 0.0483 0.6087 0.6084
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0088 0.0082
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Loa Loa (eye worm) malate dehydrogenase 0.0307 0.3846 0.3842
Trypanosoma brucei glycosomal malate dehydrogenase 0.0307 0.3846 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0088 0.0082
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0791 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0088 0.0082
Schistosoma mansoni GTP-binding protein alpha subunit 0.0006 0.0006 0.0006
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0088 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1645 0.1645
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0017 0.0029
Leishmania major glycosomal malate dehydrogenase 0.0307 0.3846 0.3732
Echinococcus granulosus malate dehydrogenase 0.0307 0.3846 0.3842
Plasmodium falciparum malate dehydrogenase 0.0791 1 1
Brugia malayi nuclear receptor RXR 0.0006 0.0015 0.0009
Onchocerca volvulus 0.0006 0.0006 0.0001
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0088 0.0082
Echinococcus multilocularis malate dehydrogenase 0.0307 0.3846 0.3842
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0088 0.0082
Brugia malayi Muscleblind-like protein 0.0299 0.374 0.3736
Schistosoma mansoni cpg binding protein 0.0031 0.0328 0.0328
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0307 0.3846 0.3842
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0039 0.0039
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0006 0.0006 0.0006
Trichomonas vaginalis set domain proteins, putative 0.0233 0.2897 0.7528
Echinococcus multilocularis lactate dehydrogenase a 0.0791 1 1
Onchocerca volvulus 0.0006 0.0006 0.0001
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0015 0.0009
Schistosoma mansoni nuclear receptor 0.0006 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Echinococcus multilocularis lactate dehydrogenase a 0.0791 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0009
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0088 0.0284
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0062 0.0056
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0009
Schistosoma mansoni malate dehydrogenase 0.0307 0.3846 0.3846
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0306 0.0301
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0088 0.0088
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0307 0.3846 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0088 0.0082
Trichomonas vaginalis malate dehydrogenase, putative 0.015 0.1839 0.4774
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Loa Loa (eye worm) hypothetical protein 0.0299 0.374 0.3736
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Brugia malayi hypothetical protein 0.0006 0.0015 0.0009
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0088 0.0082
Plasmodium vivax malate dehydrogenase, putative 0.0791 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0088 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0088 0.0082
Onchocerca volvulus 0.003 0.0313 0.1063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0088 0.0082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.1645 0.164
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0307 0.3846 0.3732
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0006 0.0006 0.0006
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0088 0.0082
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0088 0.0082
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0006 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Schistosoma mansoni zinc finger protein 0.0006 0.0006 0.0006
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0313 0.0308
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0313 0.0313
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0088 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0307 0.3846 0.3842
Schistosoma mansoni GTP-binding protein alpha subunit 0.0006 0.0006 0.0006
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0039 0.0033
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0009
Toxoplasma gondii malate dehydrogenase MDH 0.0791 1 1
Echinococcus granulosus lactate dehydrogenase protein 0.0791 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0307 0.3846 0.3842
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0088 0.0082
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0062 0.0056
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0313 0.0313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0088 0.0082
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0088 0.0082
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0182 0.0457
Toxoplasma gondii lactate dehydrogenase LDH2 0.0791 1 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0088 0.0088
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0088 0.0082
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0088 0.0088
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0039 0.0033
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0061 0.0055
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0182 0.0176
Loa Loa (eye worm) histone methyltransferase 0.001 0.0062 0.0056
Trichomonas vaginalis helicase, putative 0.0007 0.0017 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0088 0.0082
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0039 0.0033
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1645 0.164
Brugia malayi Pre-SET motif family protein 0.0205 0.2538 0.2533
Echinococcus multilocularis cpg binding protein 0.0031 0.0328 0.0322
Entamoeba histolytica malate dehydrogenase, putative 0.0791 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0088 0.0082
Echinococcus granulosus lactate dehydrogenase a 0.0791 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0015 0.0015
Schistosoma mansoni ap endonuclease 0.002 0.0182 0.0182
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0791 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0313 0.0313
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0088 0.0082
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1645 0.164
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1645 0.1645
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0088 0.0082
Leishmania major mitochondrial malate dehydrogenase 0.0307 0.3846 0.3732
Echinococcus granulosus cpg binding protein 0.0031 0.0328 0.0322
Onchocerca volvulus 0.0233 0.2897 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0006 0.0006 0.0006
Echinococcus granulosus L lactate dehydrogenase B chain 0.0791 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0791 1 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0182 0.0457
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus granulosus L lactate dehydrogenase 0.0483 0.6087 0.6084
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Loa Loa (eye worm) hypothetical protein 0.0299 0.374 0.3736
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Schistosoma mansoni cpg binding protein 0.0029 0.0306 0.0306
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0307 0.3846 1
Onchocerca volvulus 0.0029 0.0306 0.1039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0654 0.0481
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0015 0.0009
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0009
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0006 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Brugia malayi nuclear hormone receptor 0.0012 0.0088 0.0082
Echinococcus granulosus malate dehydrogenase 0.0307 0.3846 0.3842
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0292 0.0286
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0088 0.0082
Plasmodium falciparum lactate dehydrogenase, putative 0.0307 0.3846 0.3732
Schistosoma mansoni L-lactate dehydrogenase 0.0791 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0088 0.0082
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0088 0.0284
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0307 0.3846 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0088 0.0082
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0088 0.0082
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0088 0.0088
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0088 0.0082
Plasmodium vivax lactate dehydrogenase 0.0791 1 1
Mycobacterium ulcerans malate dehydrogenase 0.0307 0.3846 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0182 0.0176
Trypanosoma cruzi malate dehydrogenase, putative 0.0307 0.3846 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0088 0.0082
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0088 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0088 0.0082
Loa Loa (eye worm) hypothetical protein 0.0006 0.0015 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0088 0.0082
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0313 0.0134
Echinococcus granulosus lactate dehydrogenase a 0.0791 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1645 0.164
Leishmania major cytosolic malate dehydrogenase 0.0307 0.3846 0.3732
Brugia malayi steroid hormone receptor 0.0012 0.0088 0.0082
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0006 0.0006 0.0006
Giardia lamblia Malate dehydrogenase 0.0307 0.3846 1
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0015 0.0009
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0307 0.3846 0.3842
Trypanosoma cruzi malate dehydrogenase, putative 0.0307 0.3846 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0306 0.0301
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0088 0.0088
Trichomonas vaginalis malate dehydrogenase, putative 0.0307 0.3846 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0182 0.0176
Schistosoma mansoni malate dehydrogenase 0.0307 0.3846 0.3846
Echinococcus multilocularis muscleblind protein 1 0.0299 0.374 0.3736
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0017 0.0029
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Schistosoma mansoni malate dehydrogenase 0.0307 0.3846 0.3846
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0088 0.0088
Brugia malayi hypothetical protein 0.0006 0.0015 0.0009
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0088 0.0082
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0039 0.0033
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0017 0.0029
Trichomonas vaginalis malate dehydrogenase, putative 0.015 0.1839 0.4774
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0313 0.0308
Loa Loa (eye worm) hypothetical protein 0.003 0.0313 0.0308
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0182 0.0176

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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