Detailed information for compound 409239

Basic information

Technical information
  • TDR Targets ID: 409239
  • Name: N-(3-methylphenyl)-2-[4-(2-methylphenyl)piper idin-1-yl]acetamide
  • MW: 322.444 | Formula: C21H26N2O
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)C)CN1CCC(CC1)c1ccccc1C
  • InChi: 1S/C21H26N2O/c1-16-6-5-8-19(14-16)22-21(24)15-23-12-10-18(11-13-23)20-9-4-3-7-17(20)2/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
  • InChiKey: NHQAFLBBFNUIGF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(m-tolyl)-2-[4-(o-tolyl)-1-piperidyl]acetamide
  • N-(m-tolyl)-2-[4-(o-tolyl)-1-piperidinyl]acetamide
  • N-(3-methylphenyl)-2-[4-(2-methylphenyl)piperidin-1-yl]ethanamide
  • N-(m-tolyl)-2-[4-(o-tolyl)piperidino]acetamide
  • N-(3-methylphenyl)-2-[4-(2-methylphenyl)-1-piperidyl]acetamide
  • N-(3-methylphenyl)-2-[4-(2-methylphenyl)-1-piperidinyl]acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens dopamine receptor D4 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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1329 0.1874
Mycobacterium ulcerans carbonic anhydrase 0.0235 0.6846 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.047
Brugia malayi Smad1 0.0017 0.0282 0.0398
Schistosoma mansoni hypothetical protein 0.0339 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0519 0.1368
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0154 0.4421 0.6234
Onchocerca volvulus 0.0238 0.6945 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0274 0.2478
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.009 0.0127
Echinococcus granulosus carbonic anhydrase 0.0057 0.1506 0.1506
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.009 0.0129
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1506 0.2124
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0519 0.0758
Echinococcus multilocularis mothers against decapentaplegic 2 0.0007 0.0007 0.0007
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0519 0.0758
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0687 0.0687
Schistosoma mansoni smad1 5 8 and 0.0017 0.0282 0.0282
Schistosoma mansoni Smad4 0.0007 0.0007 0.0007
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1105 0.1591
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1105 0.7335
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0101 0.2838 0.7484
Onchocerca volvulus 0.003 0.0687 0.0989
Brugia malayi acetyltransferase, GNAT family protein 0.0149 0.4274 0.6027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0899 0.0899
Echinococcus granulosus carbonic anhydrase 0.0057 0.1506 0.1506
Brugia malayi Pre-SET motif family protein 0.003 0.0687 0.0968
Schistosoma mansoni smad1 5 8 and 0.0017 0.0282 0.0282
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1329 0.1874
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0519 0.1368
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.009 0.0127
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0274 0.0274
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0995 0.1453
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0333 0.0878
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0687 0.0687
Mycobacterium ulcerans hypothetical protein 0.0024 0.0519 0.0758
Toxoplasma gondii hypothetical protein 0.0057 0.1506 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0282 0.0282
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0519 0.0758
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0303 0.0799
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.009 0.009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.009 0.0127
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0303 0.0799
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0519 0.0758
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0687 0.0687
Schistosoma mansoni hypothetical protein 0.0057 0.1506 0.1506
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.009 0.0127
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.009 0.009
Brugia malayi MH1 domain containing protein 0.0009 0.006 0.0084
Onchocerca volvulus Bile acid receptor homolog 0.001 0.009 0.0129
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0154 0.4421 0.6234
Brugia malayi MH2 domain containing protein 0.0017 0.0282 0.0398
Loa Loa (eye worm) hypothetical protein 0.003 0.0687 0.0968
Loa Loa (eye worm) hypothetical protein 0.0024 0.0519 0.0732
Schistosoma mansoni coup transcription factor 0.001 0.009 0.009
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0024 0.0519 0.0732
Schistosoma mansoni smad 0.0017 0.0282 0.0282
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0333 0.3016
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1506 0.1506
Entamoeba histolytica carbonic anhydrase, putative 0.0235 0.6846 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0274 0.0619
Brugia malayi nuclear hormone receptor 0.001 0.009 0.0127
Trichomonas vaginalis set domain proteins, putative 0.0238 0.6945 1
Echinococcus multilocularis geminin 0.0339 1 1
Onchocerca volvulus 0.001 0.009 0.0129
Echinococcus granulosus alkaline phosphatase 0.032 0.9421 0.9421
Loa Loa (eye worm) steroid hormone receptor 0.001 0.009 0.0127
Echinococcus multilocularis intestinal type alkaline phosphatase 0.032 0.9421 0.9421
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0333 0.2212
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0333 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0519 0.0758
Loa Loa (eye worm) carbonic anhydrase 3 0.0154 0.4421 0.6234
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.009 0.009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.009 0.009
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.009 0.009
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0057 0.1506 0.2124
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.009 0.0127
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1105 0.7335
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0687 0.0687
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.009 0.0127
Echinococcus granulosus histone acetyltransferase KAT2B 0.0145 0.4148 0.4148
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.009 0.0127
Echinococcus granulosus FTZ F1 alpha 0.001 0.009 0.009
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0519 0.0732
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1506 0.2124
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.009 0.0127
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.009 0.0127
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0057 0.1506 0.2124
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.009 0.0127
Echinococcus granulosus carbonic anhydrase 0.0057 0.1506 0.1506
Schistosoma mansoni thyroid hormone receptor 0.001 0.009 0.009
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0235 0.6846 1
Schistosoma mansoni Smad4 0.0007 0.0007 0.0007
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0274 0.1818
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1329 0.1874
Plasmodium falciparum carbonic anhydrase 0.0057 0.1506 1
Echinococcus granulosus smad 0.0017 0.0282 0.0282
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0274 0.0274
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.009 0.009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0687 0.0687
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0274 0.1818
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0149 0.4274 0.4274
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0154 0.4421 0.4421
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0274 0.0722
Entamoeba histolytica hypothetical protein 0.0037 0.0899 0.1313
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0274 0.04
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0519 0.0758
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0057 0.1506 0.2124
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0282 0.0282
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.009 0.0127
Brugia malayi steroid hormone receptor 0.001 0.009 0.0127
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0899 0.0899
Plasmodium vivax SET domain protein, putative 0.003 0.0687 0.6216
Loa Loa (eye worm) nuclear factor I 0.0009 0.006 0.0084
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.009 0.0129
Echinococcus granulosus GPCR family 2 0.0016 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0687 0.456
Echinococcus multilocularis mothers against decapentaplegic 6 0.0007 0.0007 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.009 0.0127
Brugia malayi MH1 domain containing protein 0.0009 0.006 0.0084
Brugia malayi MH2 domain containing protein 0.0007 0.0007 0.001
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1105 0.1105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0273 0.0385
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1506 0.1506
Echinococcus multilocularis carbonic anhydrase II 0.0154 0.4421 0.4421
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.009 0.0127
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.009 0.009
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0274 0.0274
Loa Loa (eye worm) hypothetical protein 0.0057 0.1506 0.2124
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1506 0.1506
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0687 0.0687
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2838 0.4087
Echinococcus granulosus mothers against decapentaplegic 2 0.0007 0.0007 0.0007
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.009 0.009
Echinococcus granulosus Smad4 0.0017 0.0282 0.0282
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0687 0.0687
Echinococcus multilocularis GPCR, family 2 0.0016 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0016 0.0273 0.0385
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0282 0.0398
Schistosoma mansoni hypothetical protein 0.0016 0.0273 0.0273
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0282 0.0282
Schistosoma mansoni hypothetical protein 0.0016 0.0273 0.0273
Schistosoma mansoni hypothetical protein 0.0016 0.0273 0.0273
Loa Loa (eye worm) hypothetical protein 0.0024 0.0519 0.0732
Brugia malayi nuclear receptor NHR-88 0.001 0.009 0.0127
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0519 0.0758
Echinococcus granulosus intestinal type alkaline phosphatase 0.032 0.9421 0.9421
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0519 0.0758
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.047
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.009 0.009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.009 0.009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.009 0.0127
Entamoeba histolytica hypothetical protein 0.0037 0.0899 0.1313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.009 0.0127
Schistosoma mansoni carbonic anhydrase-related 0.0057 0.1506 0.1506
Schistosoma mansoni hypothetical protein 0.0339 1 1
Entamoeba histolytica hypothetical protein 0.0037 0.0899 0.1313
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0519 0.0758
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0899 0.0899
Loa Loa (eye worm) hypothetical protein 0.0035 0.084 0.1185
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0303 0.0799
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0057 0.1506 0.2124
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0333 0.0487
Loa Loa (eye worm) hypothetical protein 0.0007 0.0007 0.001
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0273 0.0273
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0519 0.0732
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.009 0.0127
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.084 0.1185
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.009 0.009
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.009 0.0127
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.009 0.0127
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1105 0.1591
Entamoeba histolytica hypothetical protein 0.0037 0.0899 0.1313
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.009 0.009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.009 0.0127
Brugia malayi mothers against decapentaplegic homolog 3 0.0007 0.0007 0.001
Schistosoma mansoni smad1 5 8 and 0.0017 0.0282 0.0282
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0273 0.0385
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.009 0.009
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.032 0.9421 0.9421
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0274 0.0619
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0273 0.0273
Echinococcus granulosus carbonic anhydrase II 0.0154 0.4421 0.4421
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0282 0.0282
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.032 0.9421 0.9421
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.032 0.9421 0.9421
Loa Loa (eye worm) MH2 domain-containing protein 0.0007 0.0007 0.001
Loa Loa (eye worm) hypothetical protein 0.0051 0.1329 0.1874
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.009 0.009
Brugia malayi isocitrate dehydrogenase 0.0016 0.0274 0.0386
Loa Loa (eye worm) Smad1 0.0017 0.0282 0.0398
Schistosoma mansoni hypothetical protein 0.0016 0.0273 0.0273
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0282 0.0282
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.009 0.009
Schistosoma mansoni carbonic anhydrase 0.0057 0.1506 0.1506
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0519 0.0758
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0519 0.0758
Echinococcus multilocularis smad 0.0017 0.0282 0.0282
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0274 0.0619
Leishmania major carbonic anhydrase-like protein 0.0154 0.4421 0.6457
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0995 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.009 0.009
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1105 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.009 0.009
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1506 0.1506
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0154 0.4421 1
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0995 0.6605
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0274 0.0274
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0274 0.0274
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0303 0.0799
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.009 0.009
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0519 0.0732
Brugia malayi MH2 domain containing protein 0.0017 0.0282 0.0398
Brugia malayi MH2 domain containing protein 0.0243 0.7091 1
Schistosoma mansoni hypothetical protein 0.0037 0.0899 0.0899
Mycobacterium ulcerans carbonic anhydrase 0.0101 0.2838 0.4146
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0057 0.1506 0.2124
Echinococcus multilocularis FTZ F1 alpha 0.001 0.009 0.009
Echinococcus multilocularis carbonic anhydrase 0.0057 0.1506 0.1506
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0273 0.0385
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.047
Echinococcus multilocularis alkaline phosphatase 0.032 0.9421 0.9421
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0154 0.4421 1
Leishmania major carbonic anhydrase family protein, putative 0.0235 0.6846 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.009 0.0127
Brugia malayi hypothetical protein 0.0037 0.0899 0.1267
Loa Loa (eye worm) MH1 domain-containing protein 0.0007 0.0007 0.001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.009 0.009
Schistosoma mansoni carbonic anhydrase 0.0235 0.6846 0.6846
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.2838 0.4087
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0007 0.0007 0.001
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.009 0.009
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0133 0.3792 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0274 0.0274
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.009 0.009
Brugia malayi MH1 domain containing protein 0.0017 0.0282 0.0398
Schistosoma mansoni thyroid hormone receptor 0.001 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0519 0.0758
Schistosoma mansoni alkaline phosphatase 0.032 0.9421 0.9421
Schistosoma mansoni alkaline phosphatase 0.032 0.9421 0.9421
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0274 0.0386
Schistosoma mansoni Smad4 0.0017 0.0282 0.0282
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6075 0.8568
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.009 0.009
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0274 0.1818
Loa Loa (eye worm) hypothetical protein 0.0009 0.006 0.0084
Trypanosoma brucei carbonic anhydrase-like protein 0.0154 0.4421 1
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0274 0.0386
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0519 0.0758
Echinococcus multilocularis Smad4 0.0017 0.0282 0.0282
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0149 0.4274 0.4274
Loa Loa (eye worm) acetyltransferase 0.0149 0.4274 0.6027
Onchocerca volvulus 0.0024 0.0519 0.0747
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0519 0.0758
Echinococcus granulosus mothers against decapentaplegic 6 0.0007 0.0007 0.0007
Loa Loa (eye worm) hypothetical protein 0.0057 0.1506 0.2124
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.009 0.0127
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0282 0.0398
Loa Loa (eye worm) hypothetical protein 0.0018 0.0333 0.047
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0274 0.0619
Brugia malayi MH1 domain containing protein 0.0017 0.0282 0.0398
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.7091 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.009 0.009
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.7091 1
Schistosoma mansoni smad 0.0007 0.0007 0.0007
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0654 0.0654
Schistosoma mansoni hypothetical protein 0.0035 0.084 0.084
Schistosoma mansoni hypothetical protein 0.0166 0.4792 0.4792
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.009 0.0127
Brugia malayi Steroid receptor seven-up type 2 0.001 0.009 0.0127
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0154 0.4421 0.6234
Brugia malayi ecdysteroid receptor 0.001 0.009 0.0127
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0154 0.4421 0.4421
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0519 0.0758
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.032 0.9421 0.9421
Loa Loa (eye worm) hypothetical protein 0.001 0.009 0.0127
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0274 0.0274
Brugia malayi Pre-SET motif family protein 0.0209 0.6075 0.8568
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.009 0.009

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 340 nM Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR ChEMBL. 17149874
EC50 (functional) = 340 nM Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR ChEMBL. 17149874
Efficacy (functional) = 43 % Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine ChEMBL. 17149874
Efficacy (functional) = 43 % Agonist activity at human D4.4 receptor in HEK293 cells coexpressing Galphaqo5 by FLIPR with relative to dopamine ChEMBL. 17149874

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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