Detailed information for compound 319198

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 95.101 | Formula: H3N2O2S-
  • H donors: 2 H acceptors: 2 LogP: -1.74 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: [NH-]S(=O)(=O)N
  • InChi: 1S/H3N2O2S/c1-5(2,3)4/h(H3-,1,2,3,4)/q-1
  • InChiKey: HKAOFPWOXIVYAN-UHFFFAOYSA-N  


Substructure search Similarity search

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
Onchocerca volvulus 0.0048 0.0207 0.057
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.3569 0.4143
Entamoeba histolytica ankyrin, putative 0.0085 0.0598 0.0721
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0085 0.0598 1
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Schistosoma mansoni hypothetical protein 0.0369 0.3569 0.4143
Leishmania major carbonic anhydrase family protein, putative 0.0551 0.5466 0.6476
Leishmania major carbonic anhydrase-like protein 0.0824 0.832 1
Schistosoma mansoni carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Brugia malayi Probable DNA topoisomerase II 0.0063 0.0366 0.0196
Onchocerca volvulus Neuropeptide F receptor homolog 0.0048 0.0207 0.057
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0824 0.832 0.832
Trichomonas vaginalis conserved hypothetical protein 0.0238 0.2199 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0369 0.3569 0.4143
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0238 0.2199 0.7179
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0824 0.832 1
Echinococcus multilocularis carbonic anhydrase 0.0369 0.3569 0.4143
Echinococcus granulosus carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0369 0.3569 0.3569
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0063 0.0366 0.0196
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) carbonic anhydrase 3 0.0824 0.832 0.832
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0063 0.0366 0.0196
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0824 0.832 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0824 0.832 1
Schistosoma mansoni carbonic anhydrase 0.0551 0.5466 0.6481
Onchocerca volvulus 0.0048 0.0207 0.057
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0824 0.832 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Leishmania major DNA topoisomerase ii 0.0056 0.03 0.01
Echinococcus multilocularis carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Plasmodium falciparum carbonic anhydrase 0.0369 0.3569 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0049 0.0226 0.0008
Onchocerca volvulus 0.0048 0.0207 0.057
Trichomonas vaginalis conserved hypothetical protein 0.0238 0.2199 1
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0085 0.0598 0.1373
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.3569 0.4143
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0056 0.03 0.01
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.3569 0.4143
Entamoeba histolytica acetyltransferase, putative 0.0085 0.0598 0.0721
Plasmodium vivax DNA topoisomerase II, putative 0.0063 0.0366 0.5
Echinococcus granulosus carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) hypothetical protein 0.0369 0.3569 0.3569
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Mycobacterium ulcerans carbonic anhydrase 0.0238 0.2199 0.3773
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.3569 0.4143
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0056 0.03 0.01
Loa Loa (eye worm) hypothetical protein 0.0984 1 1
Schistosoma mansoni DNA topoisomerase II 0.0063 0.0366 0.0196
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0824 0.832 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Plasmodium falciparum DNA topoisomerase 2 0.0063 0.0366 0.0533
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0063 0.0366 0.0196
Loa Loa (eye worm) TOPoisomerase family member 0.0063 0.0366 0.0366
Giardia lamblia DNA topoisomerase II 0.006 0.0337 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0082 0.0564 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0824 0.832 1
Mycobacterium ulcerans carbonic anhydrase 0.0551 0.5466 1
Onchocerca volvulus 0.0048 0.0207 0.057
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.0082 0.0564 0.1078
Trypanosoma cruzi DNA topoisomerase II, putative 0.0056 0.03 0.01
Echinococcus granulosus dynactin 5 p25 0.0085 0.0598 0.0481
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0042 0.015 0.015
Echinococcus multilocularis carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0369 0.3569 0.3569
Leishmania major mitochondrial DNA topoisomerase II 0.0049 0.0226 0.0008
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0042 0.015 0.015
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0369 0.3569 0.4143
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) neuropeptide F receptor 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Trypanosoma cruzi DNA topoisomerase II, putative 0.0056 0.03 0.01
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0049 0.0226 0.0008
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Trichomonas vaginalis conserved hypothetical protein 0.0082 0.0564 0.1078
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.3569 0.4143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0085 0.0598 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Entamoeba histolytica carbonic anhydrase, putative 0.0551 0.5466 1
Loa Loa (eye worm) TYRA-2 protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0551 0.5466 1
Loa Loa (eye worm) hypothetical protein 0.0369 0.3569 0.3569
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Toxoplasma gondii hypothetical protein 0.0369 0.3569 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0063 0.0366 0.0196
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Echinococcus granulosus carbonic anhydrase II 0.0824 0.832 1
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) G-protein coupled receptor 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) G-protein coupled receptor 0.0048 0.0207 0.0207
Entamoeba histolytica DNA topoisomerase II, putative 0.0063 0.0366 0.028
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Trypanosoma brucei DNA topoisomerase ii 0.0049 0.0226 0.0008
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0048 0.0207 0.0207
Trypanosoma brucei carbonic anhydrase-like protein 0.0824 0.832 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Echinococcus granulosus carbonic anhydrase 0.0369 0.3569 0.4143
Loa Loa (eye worm) neuropeptide F receptor 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Mycobacterium ulcerans transferase 0.0082 0.0564 0.0657
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.3569 0.4143
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0048 0.0207 0.0207
Chlamydia trachomatis DNA gyrase subunit B 0.0034 0.0066 0.5
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0312 0.2977 1
Onchocerca volvulus 0.0048 0.0207 0.057
Loa Loa (eye worm) hypothetical protein 0.0048 0.0207 0.0207
Echinococcus multilocularis carbonic anhydrase II 0.0824 0.832 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.00088 mM Inhibitory activity against human Carbonic anhydrase IV ChEMBL. 15664814
Ki (binding) = 0.0096 mM Inhibitory activity against human Carbonic anhydrase IX ChEMBL. 15664814
Ki (binding) = 0.31 mM Inhibitory activity against human Carbonic anhydrase I ChEMBL. 15664814
Ki (binding) = 0.84 mM Inhibitory activity against human Carbonic anhydrase V ChEMBL. 15664814
Ki (binding) = 1.13 mM Inhibitory activity against human Carbonic anhydrase II ChEMBL. 15664814

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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