Detailed information for compound 571729

Basic information

Technical information
  • TDR Targets ID: 571729
  • Name: tetrasodium (8Z)-7-oxo-8-[(4-sulfonato-1-naph thyl)hydrazono]naphthalene-1,3,6-trisulfonate
  • MW: 710.55 | Formula: C20H14N2Na4O13S4
  • H donors: 1 H acceptors: 13 LogP: -0.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 3
  • SMILES: O=C1C(=NNc2ccc(c3c2cccc3)S(=O)(=O)[O-])c2c(C=C1S(=O)(=O)[O-])cc(cc2S(=O)(=O)[O-])S(=O)(=O)[O-].[NaH+].[NaH+].[NaH+].[NaH+]
  • InChi: 1S/C20H14N2O13S4.4Na/c23-20-17(39(33,34)35)8-10-7-11(36(24,25)26)9-16(38(30,31)32)18(10)19(20)22-21-14-5-6-15(37(27,28)29)13-4-2-1-3-12(13)14;;;;/h1-9,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4/b22-19-;;;;
  • InChiKey: SFUBBBHFRZPTIM-QNKYWQQSSA-J  


Substructure search Similarity search

Network

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Synonyms

  • tetrasodium (8Z)-7-oxo-8-[(4-sulfonatonaphthalen-1-yl)hydrazinylidene]naphthalene-1,3,6-trisulfonate
  • tetrasodium (8Z)-7-keto-8-[(4-sulfonato-1-naphthyl)hydrazono]naphthalene-1,3,6-trisulfonate
  • ponceau 6R
  • 5850-44-2
  • 1,3,6-NAPHTHALENETRISULFONIC ACID, 7-HYDROXY-8-((4-SULFO-1-NAPHTHALENYL)AZO)-, T
  • 1,3,6-Naphthalenetrisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, tetrasodium salt
  • 7-Hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-1,3,6-naphthalenetrisulfonic acid, tetrasodium salt
  • Acid red 41
  • Acilan Ponceau 6R
  • C.I. 16290
  • C.I. Acid Red 41
  • C.I. Acid Red 41, tetrasodium salt (8CI)
  • C.I. Food Red 8
  • CI 16290
  • Cerven kysela 41 [Czech]
  • Cerven potravinarska 8 [Czech]
  • E 126
  • EINECS 227-454-4
  • Eurocert Ponceau 6R
  • Hispacid Brilliant Scarlet
  • L-Red 5
  • Neklacid Red 6R
  • Ponceau 6R Specially Pure
  • Ponceau 6RA
  • Ponceau 6RPA
  • Ponceau Red 6R
  • Scarlet 6R
  • Tetrasodium 7-hydroxy-8-((4-sulphonato-1-naphthyl)azo)naphthalene-1,3,6-trisulphonate

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
Mycobacterium ulcerans pyruvate carboxylase 0.1168 0.3349 1
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1168 0.3349 0.3343
Leishmania major C-8 sterol isomerase-like protein 0.044 0.0801 0.063
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1168 0.3349 1
Trypanosoma brucei acetyl-CoA carboxylase 0.3065 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2218 0.7031 1
Loa Loa (eye worm) hypothetical protein 0.0215 0.0009 0.001
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0415 0.0713 0.0704
Loa Loa (eye worm) hypothetical protein 0.0465 0.0888 0.0922
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0415 0.0713 0.0541
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1168 0.3349 0.3343
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1168 0.3349 0.3226
Schistosoma mansoni pyruvate carboxylase 0.1168 0.3349 0.3343
Echinococcus granulosus survival motor neuron protein 1 0.0465 0.0888 0.0879
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.3065 1 1
Trypanosoma cruzi C-8 sterol isomerase, putative 0.044 0.0801 0.1081
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1168 0.3349 1
Trypanosoma brucei unspecified product 0.0768 0.1947 0.1798
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1168 0.3349 1
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0415 0.0713 0.1676
Brugia malayi Serotonin receptor 0.0375 0.0572 0.0594
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0415 0.0713 0.0704
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0415 0.0713 0.1676
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1168 0.3349 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0415 0.0713 0.1676
Loa Loa (eye worm) hypothetical protein 0.0225 0.0046 0.0048
Chlamydia trachomatis biotin carboxylase 0.106 0.2973 1
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1168 0.3349 0.3343
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1168 0.3349 0.5531
Trypanosoma cruzi acetyl-CoA carboxylase 0.1898 0.5908 1
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1168 0.3349 0.3226
Brugia malayi Carboxyl transferase domain containing protein 0.2958 0.9624 1
Leishmania major carboxylase, putative 0.1168 0.3349 0.3226
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0415 0.0713 0.0927
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1168 0.3349 1
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0415 0.0713 0.0541
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0415 0.0713 0.0927
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0415 0.0713 0.1676
Schistosoma mansoni acetyl-CoA carboxylase 0.3065 1 1
Toxoplasma gondii pyruvate carboxylase 0.1168 0.3349 0.3226
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.3065 1 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0415 0.0713 0.0541
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0523 0.1089 0.5
Brugia malayi ERG2 and Sigma1 receptor like protein 0.044 0.0801 0.0832
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0415 0.0713 0.0541
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0415 0.0713 0.0704
Echinococcus multilocularis survival motor neuron protein 1 0.0465 0.0888 0.0879
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1168 0.3349 0.3343
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0415 0.0713 0.1676
Leishmania major acetyl-CoA carboxylase, putative 0.3065 1 1
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1168 0.3349 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1168 0.3349 0.3226
Brugia malayi hypothetical protein 0.0465 0.0888 0.0922
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0264 0.0182 0.0173
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0415 0.0713 0.1676
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1168 0.3349 1
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.2958 0.9624 1
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0415 0.0713 0.0927
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0264 0.0182 0.0173
Loa Loa (eye worm) hypothetical protein 0.044 0.0801 0.0832
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1168 0.3349 0.5531
Schistosoma mansoni aspartate carbamoyltransferase 0.0264 0.0182 0.0173
Trypanosoma brucei C-8 sterol isomerase, putative 0.044 0.0801 0.063
Loa Loa (eye worm) hypothetical protein 0.0215 0.0009 0.001
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0523 0.1089 0.5
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.2218 0.7031 1
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.3065 1 1
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0415 0.0713 0.1676

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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