Detailed information for compound 1820983

Basic information

Technical information
  • TDR Targets ID: 1820983
  • Name: 2-hydroxy-4-(naphthalen-1-ylsulfonylamino)ben zoic acid
  • MW: 343.354 | Formula: C17H13NO5S
  • H donors: 3 H acceptors: 5 LogP: 3.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc(cc1O)NS(=O)(=O)c1cccc2c1cccc2
  • InChi: 1S/C17H13NO5S/c19-15-10-12(8-9-14(15)17(20)21)18-24(22,23)16-7-3-5-11-4-1-2-6-13(11)16/h1-10,18-19H,(H,20,21)
  • InChiKey: FQCDAJQMTHYPRN-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-hydroxy-4-(1-naphthylsulfonylamino)benzoic acid
  • AE-641/42132828

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma brucei gambiense fructose-6-phosphate2-kinase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma brucei gambiense 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma brucei 6-phosphofructo-2-kinase 2 Get druggable targets OG5_126873 All targets in OG5_126873
Candida albicans fructose-2,6-biphosphatase Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania braziliensis 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Onchocerca volvulus Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania infantum 6-phosphofructo-2-kinase-like protein Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania donovani 6-phosphofructo-2-kinase-like protein Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania braziliensis 6-phosphofructo-2-kinase-like protein Get druggable targets OG5_126873 All targets in OG5_126873
Candida albicans fructose-2,6-biphosphatase Get druggable targets OG5_126873 All targets in OG5_126873
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126873 All targets in OG5_126873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania infantum 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 Get druggable targets OG5_126873 All targets in OG5_126873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB Get druggable targets OG5_126873 All targets in OG5_126873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania donovani 6-phosphofructo-2-kinase 1 Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma congolense 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania mexicana 6-phosphofructo-2-kinase-like protein Get druggable targets OG5_126873 All targets in OG5_126873
Schistosoma japonicum 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania mexicana Get druggable targets OG5_126873 All targets in OG5_126873
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma congolense 6-phosphofructo-2-kinase 1 Get druggable targets OG5_126873 All targets in OG5_126873
Schistosoma japonicum ko:K00900 6-phosphofructo-2-kinase [EC2.7.1.105], putative Get druggable targets OG5_126873 All targets in OG5_126873
Giardia lamblia Hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma cruzi 6-phosphofructo-2-kinase 1 Get druggable targets OG5_126873 All targets in OG5_126873
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative Get druggable targets OG5_126873 All targets in OG5_126873
Giardia lamblia Hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Entamoeba histolytica phosphoglycerate mutase family protein, putative Get druggable targets OG5_126873 All targets in OG5_126873
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_126873 All targets in OG5_126873
Schistosoma japonicum 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 2, putative Get druggable targets OG5_126873 All targets in OG5_126873

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 500 aa 429 aa 24.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0196 1
Onchocerca volvulus 0.1572 1 1
Giardia lamblia Hypothetical protein 0.0042 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.0901 0.562 0.562
Onchocerca volvulus 0.0671 0.4116 0.3998
Onchocerca volvulus 0.0901 0.562 0.5532
Loa Loa (eye worm) hypothetical protein 0.1572 1 1
Loa Loa (eye worm) hypothetical protein 0.0671 0.4116 0.4116
Echinococcus granulosus 6 phosphofructo 2 kinase:fructose 2 0.007 0.0196 0.5
Echinococcus multilocularis 6 phosphofructo 2 kinase:fructose 2 0.007 0.0196 0.5
Mycobacterium ulcerans fructose-2,6-bisphosphatase GpmB 0.0042 0.0008 0.5
Onchocerca volvulus 0.1572 1 1
Onchocerca volvulus 0.1572 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0901 0.562 0.2556
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.1572 1 1
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.1572 1 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.0008 0.5
Giardia lamblia Hypothetical protein 0.0042 0.0008 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.0188 0.0188
Onchocerca volvulus 0.1572 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0671 0.4116 0.5
Loa Loa (eye worm) hypothetical protein 0.0901 0.562 0.562
Loa Loa (eye worm) hypothetical protein 0.0671 0.4116 0.4116
Entamoeba histolytica phosphoglycerate mutase family protein, putative 0.0042 0.0008 0.5
Trypanosoma cruzi 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0196 1
Onchocerca volvulus 0.1572 1 1
Loa Loa (eye worm) hypothetical protein 0.0671 0.4116 0.4116
Loa Loa (eye worm) hypothetical protein 0.0901 0.562 0.562
Onchocerca volvulus 0.0901 0.562 0.5532
Onchocerca volvulus 0.1572 1 1
Loa Loa (eye worm) hypothetical protein 0.0671 0.4116 0.4116
Trypanosoma brucei 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0196 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0901 0.562 0.562
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0901 0.562 0.562
Schistosoma mansoni 6-phosphofructokinase 0.007 0.0196 0.5
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.1572 1 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0901 0.562 0.2556
Loa Loa (eye worm) hypothetical protein 0.007 0.0196 0.0196
Brugia malayi hypothetical protein 0.0901 0.562 0.2556
Onchocerca volvulus 0.1572 1 1
Brugia malayi hypothetical protein 0.0901 0.562 0.2556
Loa Loa (eye worm) hypothetical protein 0.0901 0.562 0.562
Onchocerca volvulus 0.1572 1 1
Leishmania major 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative 0.007 0.0196 1
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0901 0.562 0.2556
Loa Loa (eye worm) hypothetical protein 0.0901 0.562 0.562

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.49 uM Inhibition of human recombinant GST-tagged PFKFB3 expressed in Escherichia coli BL21(DE3) using fructose 6-phosphate as substrate preincubated for 30 mins before substrate addition measured after 60 mins by kinase-glo assay ChEMBL. 24398380
IC50 (binding) = 27 uM Inhibition of PFKFB3 (unknown origin) ChEMBL. 24398380

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

1 literature reference was collected for this gene.

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