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

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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