Detailed information for compound 1548245

Basic information

Technical information
  • TDR Targets ID: 1548245
  • Name: (4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)m ethylsulfonylmethyl]furan-2-yl]methanone
  • MW: 394.46 | Formula: C19H23FN2O4S
  • H donors: 0 H acceptors: 3 LogP: 1.76 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN1CCN(CC1)C(=O)c1ccc(o1)CS(=O)(=O)Cc1ccccc1F
  • InChi: 1S/C19H23FN2O4S/c1-2-21-9-11-22(12-10-21)19(23)18-8-7-16(26-18)14-27(24,25)13-15-5-3-4-6-17(15)20/h3-8H,2,9-14H2,1H3
  • InChiKey: ZWXOZYLNFZPPAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylsulfonylmethyl]-2-furyl]methanone
  • (4-ethyl-1-piperazinyl)-[5-[(2-fluorophenyl)methylsulfonylmethyl]-2-furyl]methanone
  • (4-ethylpiperazin-1-yl)-[5-[(2-fluorobenzyl)sulfonylmethyl]-2-furyl]methanone
  • ChemDiv3_013682
  • MLS000521192
  • SMR000131601
  • IDI1_029832

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0066
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0074 0.0083
Schistosoma mansoni cpg binding protein 0.003 0.0325 0.0382
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0074 0.0406
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0704 0.0828
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Brugia malayi ecdysteroid receptor 0.001 0.0074 0.0406
Brugia malayi nuclear receptor RXR 0.0005 0.0008 0.0026
Brugia malayi MH1 domain containing protein 0.001 0.0071 0.0389
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0005 0.0008 0.0009
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0074 0.0087
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1744 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Brugia malayi hypothetical protein 0.0005 0.0015 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0074 0.0406
Echinococcus multilocularis Smad4 0.001 0.0071 0.0068
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0074 0.0071
Brugia malayi MH2 domain containing protein 0.001 0.0071 0.0389
Loa Loa (eye worm) DR-78 0.0005 0.0008 0.0026
Loa Loa (eye worm) Smad1 0.001 0.0071 0.0389
Loa Loa (eye worm) hypothetical protein 0.0034 0.0371 0.2114
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0071 0.008
Brugia malayi nuclear receptor RXR 0.0005 0.0015 0.0066
Schistosoma mansoni smad 0.001 0.0071 0.0084
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0074 0.2344
Brugia malayi ecdysone receptor 0.0005 0.0008 0.0026
Brugia malayi tailless protein 0.0005 0.0008 0.0026
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0243 0.0602
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0071 0.0084
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0007 0.0035 0.0182
Schistosoma mansoni smad1 5 8 and 0.001 0.0071 0.0084
Echinococcus multilocularis nuclear receptor nhr 48 0.0005 0.0008 0.0004
Schistosoma mansoni hypothetical protein 0.0016 0.0144 0.017
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0005 0.0008 0.0026
Echinococcus multilocularis GPCR, family 2 0.0016 0.0144 0.0141
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0008 0.0005
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0637 0.3638
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0567 0.3237
Entamoeba histolytica hypothetical protein 0.0043 0.049 1
Echinococcus granulosus Smad4 0.001 0.0071 0.008
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0005 0.0015 0.0012
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0243 0.4567
Brugia malayi MH2 domain containing protein 0.0144 0.1744 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0074 0.0406
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0058 0.0311
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0243 0.1375
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0074 0.0406
Loa Loa (eye worm) hypothetical protein 0.0005 0.0017 0.0075
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0024 0.0243 0.0602
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0037 0.0034
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0005 0.0015 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0074 0.0406
Entamoeba histolytica hypothetical protein 0.0043 0.049 1
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0074 0.0071
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0071 0.008
Loa Loa (eye worm) hypothetical protein 0.0024 0.0243 0.1375
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0074 0.0406
Brugia malayi Smad1 0.001 0.0071 0.0389
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0005 0.0008 0.0005
Loa Loa (eye worm) hypothetical protein 0.0018 0.0169 0.0948
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0074 0.0083
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Onchocerca volvulus 0.001 0.0074 0.2344
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0074 0.0406
Loa Loa (eye worm) hypothetical protein 0.0018 0.0169 0.0948
Brugia malayi MH1 domain containing protein 0.001 0.0071 0.0389
Schistosoma mansoni Smad4 0.001 0.0071 0.0084
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0071 0.0389
Schistosoma mansoni hypothetical protein 0.0016 0.0144 0.017
Brugia malayi orphan nuclear receptor NR2E1 0.0005 0.0008 0.0026
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0144 0.0141
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0035 0.0035
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0007 0.0035 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0243 0.1375
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0059 0.0319
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0074 0.0087
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0035 0.5
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Loa Loa (eye worm) hypothetical protein 0.0018 0.0169 0.0948
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0066
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0074 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0074 0.0406
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0074 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0074 0.0406
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0037 0.0034
Brugia malayi nuclear hormone receptor 0.0005 0.0008 0.0026
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0243 0.0602
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0623 1
Onchocerca volvulus 0.0029 0.0305 1
Mycobacterium ulcerans hypothetical protein 0.0024 0.0243 0.0602
Loa Loa (eye worm) nuclear receptor NHR-67 0.0005 0.0008 0.0026
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0035 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0637 0.0749
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0066
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0007 0.0035 0.0037
Brugia malayi hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni thyroid hormone receptor 0.001 0.0074 0.0087
Schistosoma mansoni microtubule-associated protein tau 0.0687 0.8502 1
Onchocerca volvulus 0.0005 0.0008 0.0147
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0157 0.0385
Echinococcus granulosus smad 0.001 0.0071 0.008
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0035 0.0035
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0074 0.0083
Brugia malayi hypothetical protein 0.0005 0.0015 0.0066
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0169 0.042
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0056
Brugia malayi MH1 domain containing protein 0.0005 0.0017 0.0075
Schistosoma mansoni cpg binding protein 0.003 0.0325 0.0382
Schistosoma mansoni Smad4 0.0004 0.0004 0.0004
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0007 0.0035 0.5
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0007 0.0035 0.0035
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0074 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0074 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0074 0.0406
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0243 0.0602
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0169 0.0386
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0007 0.0035 0.0035
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0037 0.004
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0074 0.2344
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0074 0.0087
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0005 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.0007 0.0035 0.0182
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0074 0.0087
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0007 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni nuclear receptor nhr-48 0.0005 0.0008 0.0009
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0071 0.0068
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0074 0.2344
Loa Loa (eye worm) hypothetical protein 0.0024 0.0243 0.1375
Schistosoma mansoni smad1 5 8 and 0.001 0.0071 0.0084
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0008 0.0147
Loa Loa (eye worm) hypothetical protein 0.0016 0.0144 0.081
Brugia malayi steroid hormone receptor 0.001 0.0074 0.0406
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0157 0.0385
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0243 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0243 0.0634
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0074 0.0071
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0637 0.0749
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0637 0.0745
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1744 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0007 0.0035 0.0035
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0074 0.0071
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0035 1
Schistosoma mansoni hypothetical protein 0.0016 0.0144 0.017
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0066
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0567 0.3237
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0074 0.0087
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0243 1
Schistosoma mansoni nuclear hormone receptor 0.001 0.0074 0.0087
Brugia malayi MH2 domain containing protein 0.001 0.0071 0.0389
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0074 0.0087
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0037 0.004
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0157 0.0385
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0144 0.0166
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0037 0.0044
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0074 0.0083
Echinococcus granulosus thyroid hormone receptor alpha 0.0005 0.0008 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0074 0.0083
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0059 0.0065
Loa Loa (eye worm) hypothetical protein 0.0018 0.0169 0.0948
Loa Loa (eye worm) hypothetical protein 0.005 0.0567 0.3237
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.0157 0.0385
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0243 0.1375
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0007 0.0035 0.0032
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Schistosoma mansoni smad1 5 8 and 0.001 0.0071 0.0084
Brugia malayi MH1 domain containing protein 0.0005 0.0017 0.0075
Echinococcus granulosus Nuclear hormone receptor HR96 0.0005 0.0008 0.0005
Loa Loa (eye worm) hypothetical protein 0.0007 0.0035 0.0182
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0074 0.0083
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0007 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0074 0.0083
Loa Loa (eye worm) hypothetical protein 0.0018 0.0169 0.0948
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0074 0.0071
Trichomonas vaginalis antibiotic synthetase, putative 0.0007 0.0035 1
Onchocerca volvulus 0.0005 0.0008 0.0147
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0144 0.0166
Echinococcus granulosus GPCR family 2 0.0016 0.0144 0.0166
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0169 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0074 0.0406
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0074 0.0087
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0637 0.3638
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0074 0.0406
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0005 0.0015 0.0018
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0371 0.2114
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0144 0.0141
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0074 0.0406
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0005 0.0008 0.0147
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0071 0.0068
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0243 0.0602
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Echinococcus granulosus cpg binding protein 0.003 0.0325 0.0378
Brugia malayi nuclear receptor NHR-88 0.0005 0.0008 0.0026
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0144 0.081
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0074 0.0406
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0169 0.0386
Echinococcus multilocularis smad 0.001 0.0071 0.0068
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni coup transcription factor 0.001 0.0074 0.0087
Onchocerca volvulus 0.0024 0.0243 0.7939
Onchocerca volvulus 0.0007 0.0035 0.105
Brugia malayi AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0035 0.5
Treponema pallidum hypothetical protein 0.0284 0.3486 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0637 0.0633
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0007 0.0035 0.0182
Brugia malayi nuclear hormone receptor family member nhr-6 0.0005 0.0008 0.0026
Loa Loa (eye worm) oxidoreductase 0.0007 0.0035 0.0182
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0243 0.1375
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0243 0.0602
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0005 0.0008 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0074 0.0071
Entamoeba histolytica hypothetical protein 0.0043 0.049 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0005 0.0008 0.0004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0074 0.0406
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0005 0.0015 0.0014
Onchocerca volvulus 0.0007 0.0035 0.105
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0284 0.3486 1
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0015 0.0066
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0243 0.0634
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0243 0.4567
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0243 0.0602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0074 0.0406
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0074 0.0406
Brugia malayi CXXC zinc finger family protein 0.0029 0.0305 0.1732
Loa Loa (eye worm) nuclear factor I 0.0005 0.0017 0.0075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0074 0.0406
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0637 0.0749
Schistosoma mansoni acetyl-CoA synthetase 0.0007 0.0035 0.0041
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0243 0.0602
Loa Loa (eye worm) hypothetical protein 0.001 0.0074 0.0406
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0007 0.0035 0.0035
Echinococcus multilocularis cpg binding protein 0.003 0.0325 0.0322
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0637 0.0745
Schistosoma mansoni hypothetical protein 0.0034 0.0371 0.0437
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0243 0.0602
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0005 0.0008 0.0005
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0005 0.0015 0.0066
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0243 1
Schistosoma mansoni nuclear receptor 0.0005 0.0008 0.0009
Schistosoma mansoni thyroid hormone receptor 0.001 0.0074 0.0087
Entamoeba histolytica hypothetical protein 0.0043 0.049 1
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0007 0.0035 0.0035
Brugia malayi nuclear hormone receptor 0.001 0.0074 0.0406
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0144 0.081
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0005 0.0008 0.0004
Onchocerca volvulus 0.0007 0.0035 0.105
Brugia malayi Nuclear hormone receptor E75 0.0005 0.0008 0.0026
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.049 0.0572
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Echinococcus granulosus FTZ F1 alpha 0.001 0.0074 0.0083
Loa Loa (eye worm) hypothetical protein 0.0005 0.0015 0.0066
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0035 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0243 0.4567
Loa Loa (eye worm) nuclear hormone receptor 0.0005 0.0008 0.0026
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0284 0.3486 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0008 0.0004
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0284 0.3486 1
Echinococcus multilocularis microtubule associated protein 2 0.0687 0.8502 0.8502
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0637 0.0633
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0074 0.0406
Echinococcus granulosus nuclear receptor nhr 48 0.0005 0.0008 0.0005
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0005 0.0008 0.0004
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0284 0.3486 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0074 0.0083
Brugia malayi nuclear receptor NHR-67 0.0005 0.0008 0.0026
Brugia malayi conserved hypotetical protein 0.0005 0.0008 0.0026
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0074 0.0406
Onchocerca volvulus 0.0007 0.0035 0.105
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0144 0.081
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0305 0.1732
Brugia malayi hypothetical protein 0.0043 0.049 0.2794
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0284 0.3486 1
Schistosoma mansoni cpg binding protein 0.0029 0.0305 0.0359
Echinococcus granulosus microtubule associated protein 2 0.0687 0.8502 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0567 0.3237
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.049 0.0486
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.049 0.0576
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0074 0.0087
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0169 0.0386
Schistosoma mansoni zinc finger protein 0.0005 0.0008 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0074 0.0406
Schistosoma mansoni hypothetical protein 0.0016 0.0144 0.017
Schistosoma mansoni Smad4 0.0004 0.0004 0.0004
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0074 0.0406
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0008 0.0009
Schistosoma mansoni hypothetical protein 0.0043 0.049 0.0576
Brugia malayi nuclear hormone receptor family member odr-7 0.0005 0.0008 0.0026
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0007 0.0035 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0005 0.0008 0.0004
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0074 0.0406
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0007 0.0035 0.0035
Brugia malayi Nuclear hormone receptor-like 1 0.0005 0.0015 0.0066
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni smad 0.0004 0.0004 0.0004
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0007 0.0035 0.0182
Schistosoma mansoni nuclear receptor 0.0005 0.0008 0.0009
Brugia malayi nuclear receptor NHR-88 0.001 0.0074 0.0406
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0074 0.0071
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0071 0.0389
Brugia malayi hypothetical protein 0.0005 0.0008 0.0026
Loa Loa (eye worm) hypothetical protein 0.0005 0.0008 0.0026
Schistosoma mansoni nuclear hormone receptor 0.0005 0.0008 0.0009

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 7.9433 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

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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