Detailed information for compound 1838971

Basic information

Technical information
  • TDR Targets ID: 1838971
  • Name: 6-amino-4-hydroxynaphthalene-2-sulfonic acid
  • MW: 239.248 | Formula: C10H9NO4S
  • H donors: 3 H acceptors: 4 LogP: 0.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)O
  • InChi: 1S/C10H9NO4S/c11-7-2-1-6-3-8(16(13,14)15)5-10(12)9(6)4-7/h1-5,12H,11H2,(H,13,14,15)
  • InChiKey: HBZVNWNSRNTWPS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-4-hydroxy-naphthalene-2-sulfonic acid
  • 6-Amino-4-hydroxy-2-naphthalenesulfonic acid
  • 90-51-7
  • 12235-59-5
  • 7-Amino-1-naphthol-3-sulfonic acid
  • AIDS-020198
  • AIDS020198
  • 1-Naphthol-3-sulfonic acid, 7-amino-
  • 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (gamma acid)
  • 6-Amino-4-hydroxynaphthalene-2-sulphonic acid
  • AI3-19502
  • Aminonaphthol sulfonic acid gamma
  • BRN 1821283
  • EINECS 202-000-8
  • Gamma Acid
  • NSC 31508
  • Y acid
  • gamma-Acid
  • NSC31508
  • 08158_FLUKA
  • .gamma.-Acid
  • 2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-
  • 6-Amino-4-hydroxy-2-naphthalenesulfonic acid (.gamma. acid)
  • Aminonaphthol sulfonic acid, .gamma.-
  • C.I. Developer 3
  • NSC8630

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5'-nucleotidase, ecto (CD73) Starlite/ChEMBL References
Rattus norvegicus 5'-nucleotidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein Get druggable targets OG5_127246 All targets in OG5_127246
Treponema pallidum 5'-nucleotidase (ushA) Get druggable targets OG5_127246 All targets in OG5_127246
Cryptosporidium hominis RIKEN cDNA 4933425L06 Get druggable targets OG5_127246 All targets in OG5_127246
Schistosoma japonicum ko:K01081 5'-nucleotidase [EC3.1.3.5], putative Get druggable targets OG5_127246 All targets in OG5_127246
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase Get druggable targets OG5_127246 All targets in OG5_127246
Neospora caninum 5-Nucleotidase domain protein (Precursor), related Get druggable targets OG5_127246 All targets in OG5_127246
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase Get druggable targets OG5_127246 All targets in OG5_127246
Cryptosporidium parvum nucleotidase (5-nucleotidase/2-cyclic phosphodiesterase) of the calcineurin superfamily Get druggable targets OG5_127246 All targets in OG5_127246
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

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) < 40 % Cytotoxicity against human NCI-H157 cells at 100 uM after 24 hrs by sulforhodamine B assay ChEMBL. 24215819
IC50 (binding) = 1.32 uM Inhibition of human recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubated for 10 mins before substrate addition measured after 10 mins by capillary electrophoresis ChEMBL. 24215819
IC50 (binding) = 10.4 uM Inhibition of rat recombinant ecto-5'-nucleotidase expressed in african green monkey COS7 cells using adenosine monophosphate as substrate preincubated for 10 mins before substrate addition measured after 10 mins by capillary electrophoresis ChEMBL. 24215819

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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