Detailed information for compound 1462451

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 538.615 | Formula: C24H27N4NaO5S2
  • H donors: 2 H acceptors: 6 LogP: 4.86 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCC(=O)[N-]S(=O)(=O)c1ccc(cc1)C(C(=O)Nc1nc2c(s1)nc(cc2)OC)CC1CCCC1.[Na+]
  • InChi: 1S/C24H28N4O5S2.Na/c1-3-20(29)28-35(31,32)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)22(30)27-24-25-19-12-13-21(33-2)26-23(19)34-24;/h8-13,15,18H,3-7,14H2,1-2H3,(H2,25,27,28,29,30);/q;+1/p-1
  • InChiKey: OZXOODMHBLWQNO-UHFFFAOYSA-M  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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 Blistered cuticle protein 3 0.0026 0.0073 0.0345
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0037 0.0173
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0037 0.016
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0037 0.0311
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0029 0.0096 0.0351
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0014 0.0019
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0037 0.0173
Brugia malayi Pax transcription factor protein 2 0.0241 0.1597 0.7556
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0037 0.0311
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0073 0.0345
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0095 0.1049
Brugia malayi Cytochrome P450 family protein 0.0019 0.0021 0.0099
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0037 0.0311
Loa Loa (eye worm) hypothetical protein 0.0025 0.0066 0.0314
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0341 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0037 0.0173
Schistosoma mansoni coup transcription factor 0.0021 0.0037 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0037 0.0173
Echinococcus granulosus geminin 0.0183 0.1181 0.516
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0216 0.102
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.01
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0037 0.016
Brugia malayi hypothetical protein 0.0314 0.2114 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0037 0.0173
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0066 0.1945
Loa Loa (eye worm) hypothetical protein 0.0034 0.013 0.0614
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.01
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0021 0.0612
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0073 0.0174
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0239 0.2025
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0037 0.016
Echinococcus multilocularis geminin 0.0183 0.1181 0.516
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0403 0.2739 0.2723
Brugia malayi nuclear receptor NHR-88 0.0021 0.0037 0.0173
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.015 0.0657
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Onchocerca volvulus 0.0026 0.0073 0.0174
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0066 0.0046
Schistosoma mansoni hypothetical protein 0.0183 0.1181 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0092 0.0434
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0066 0.0046
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0021 0.003
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0037 0.016
Brugia malayi steroid hormone receptor 0.0021 0.0037 0.0173
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0341 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0037 0.016
Onchocerca volvulus Peroxidasin homolog 0.0026 0.0073 0.0174
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.005 0.0242 0.1144
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0037 0.0311
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0037 0.016
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0073 0.0345
Onchocerca volvulus 0.0025 0.0066 0.0143
Onchocerca volvulus 0.0314 0.2114 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0037 0.0173
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0216 0.0942
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1428 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Giardia lamblia Myb 1-like protein 0.0029 0.0096 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.01
Brugia malayi MH2 domain containing protein 0.0119 0.0727 0.3441
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0216 0.102
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0037 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0037 0.0173
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0341 1
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0021 0.0612
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0727 0.3441
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0341 1
Onchocerca volvulus Chorion peroxidase homolog 0.0026 0.0073 0.0174
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0025 0.0066 0.0314
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0021 0.0099
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0037 0.0311
Echinococcus granulosus tumor protein p63 0.0339 0.2288 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0014 0.0019
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0037 0.0311
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Onchocerca volvulus Peroxidase homolog 0.0026 0.0073 0.0174
Schistosoma mansoni hypothetical protein 0.0183 0.1181 1
Echinococcus granulosus transcription factor Dp 1 0.0037 0.015 0.0657
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0066 0.0046
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0073 0.0345
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0242 0.1144
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0066 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0216 0.0942
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0066 0.0046
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0037 0.0311
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0066 0.1945
Brugia malayi nuclear hormone receptor 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0066 0.0046
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0066 0.0314
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0021 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0066 0.0093
Chlamydia trachomatis phosphoshikimate 1-carboxyl vinyltransferase 0.0403 0.2739 0.2723
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0403 0.2739 0.3773
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1026 0.7149 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0095 0.1049
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0037 0.016
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.01
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0727 0.3441
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0341 0.1491
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1026 0.7149 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0095 0.1049
Onchocerca volvulus 0.0241 0.1597 0.7513
Onchocerca volvulus 0.0026 0.0073 0.0174
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0096 1
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0073 0.0345
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0037 0.0173
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0216 0.1826
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0037 0.016
Loa Loa (eye worm) hypothetical protein 0.0314 0.2114 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0066 0.0314
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0095 0.1049
Brugia malayi hypothetical protein 0.0026 0.0073 0.0345
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0037 0.0311
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0216 0.1826
Trichomonas vaginalis MYB, putative 0.0029 0.0096 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0066 0.0093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Schistosoma mansoni hypothetical protein 0.0034 0.013 0.11
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0341 0.1491
Mycobacterium ulcerans hypothetical protein 0.0025 0.0066 0.0046
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0014 0.0019
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0341 0.289
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Brugia malayi Cytochrome P450 family protein 0.0029 0.0092 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0037 0.0173
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0037 0.0311
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0037 0.0173
Leishmania major cytochrome p450-like protein 0.0019 0.0021 0.0612
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0021 0.0099
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0037 0.016
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Brugia malayi Peroxidasin 0.0026 0.0073 0.0345
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0216 0.0942
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0341 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0037 0.0173
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0037 0.0311
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0073 0.0345
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1428 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0066 0.0314
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0037 0.016
Onchocerca volvulus 0.0026 0.0073 0.0174
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0037 0.016
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0037 0.016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0216 0.0942
Onchocerca volvulus Peroxidase homolog 0.0026 0.0073 0.0174
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0014 0.0019
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0341 0.1614
Brugia malayi Cytochrome P450 family protein 0.0019 0.0021 0.0099
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0242 0.1144
Loa Loa (eye worm) pax transcription factor protein 2 0.0241 0.1597 0.7556
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0037 0.0173
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0066 0.0046
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0037 0.016
Schistosoma mansoni peroxidasin 0.0026 0.0073 0.0617
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0037 0.016
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0037 0.016
Schistosoma mansoni peroxidasin 0.0026 0.0073 0.0617
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0021 0.0612
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0021 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0242 0.1144
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0341 0.1614
Echinococcus multilocularis peroxidasin 0.0026 0.0073 0.0319
Echinococcus multilocularis tumor protein p63 0.0339 0.2288 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0403 0.2739 1
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1428 1 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0037 0.016
Loa Loa (eye worm) hypothetical protein 0.005 0.0239 0.1131
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0073 0.0345
Loa Loa (eye worm) hypothetical protein 0.0026 0.0073 0.0345
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0037 0.0311
Loa Loa (eye worm) blistered cuticle protein 3 0.0026 0.0073 0.0345
Loa Loa (eye worm) animal heme peroxidase 0.0026 0.0073 0.0345
Loa Loa (eye worm) hypothetical protein 0.0021 0.0037 0.0173
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0037 0.0173
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.013 0.0614
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0037 0.0311
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0096 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0037 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0037 0.0173
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0073 0.0345
Brugia malayi Animal haem peroxidase family protein 0.0026 0.0073 0.0345
Onchocerca volvulus 0.005 0.0239 0.0974
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0021 0.0099
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0037 0.0173
Brugia malayi ecdysteroid receptor 0.0021 0.0037 0.0173
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0066 0.0314
Echinococcus granulosus peroxidasin 0.0026 0.0073 0.0319
Loa Loa (eye worm) hypothetical protein 0.0019 0.0021 0.01
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0029 0.0095 0.1049
Onchocerca volvulus Dual oxidase homolog 0.0026 0.0073 0.0174
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0066 0.1945
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0216 0.1826
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0037 0.016
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0037 0.016

Activities

No activities found for this compound.

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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