Detailed information for compound 273684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.402 | Formula: C11H9N3O4S3
  • H donors: 2 H acceptors: 5 LogP: 1.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=C(O)c2sccc2S(=O)(=O)N1C)Nc1nccs1
  • InChi: 1S/C11H9N3O4S3/c1-14-7(10(16)13-11-12-3-5-20-11)8(15)9-6(2-4-19-9)21(14,17)18/h2-5,15H,1H3,(H,12,13,16)
  • InChiKey: MAURGJMKVGWXMC-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Echinococcus multilocularis carbonic anhydrase 0.0619 0.3001 0.4437
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0619 0.3001 0.4437
Brugia malayi hypothetical protein 0.0158 0.0631 0.0934
Leishmania major carbonic anhydrase family protein, putative 0.1446 0.7253 1
Mycobacterium ulcerans thymidine phosphorylase 0.1256 0.6272 0.6272
Echinococcus multilocularis carbonic anhydrase II 0.1351 0.6764 1
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0354 0.1642 0.1642
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.0354 0.1642 0.2301
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0619 0.3001 0.2929
Brugia malayi Putative carbonic anhydrase 5 precursor 0.1351 0.6764 1
Trypanosoma brucei carbonic anhydrase-like protein 0.1351 0.6764 1
Schistosoma mansoni carbonic anhydrase-related 0.0619 0.3001 0.4138
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1351 0.6764 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0571 0.2757 0.3884
Loa Loa (eye worm) hypothetical protein 0.0619 0.3001 0.2929
Wolbachia endosymbiont of Brugia malayi 2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase 0.0068 0.017 1
Schistosoma mansoni carbonic anhydrase 0.0619 0.3001 0.4138
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0619 0.3001 0.4437
Echinococcus multilocularis thymidine phosphorylase 0.1256 0.6272 0.9274
Loa Loa (eye worm) hypothetical protein 0.1762 0.8873 1
Echinococcus granulosus carbonic anhydrase 0.0619 0.3001 0.4437
Schistosoma mansoni carbonic anhydrase 0.1446 0.7253 1
Echinococcus granulosus carbonic anhydrase 0.0619 0.3001 0.4437
Mycobacterium ulcerans transferase 0.0065 0.0157 0.0157
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0619 0.3001 0.4437
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.1351 0.6764 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.141 0.7064 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0354 0.1642 0.2093
Echinococcus multilocularis carbonic anhydrase 0.0619 0.3001 0.4437
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.1351 0.6764 1
Onchocerca volvulus 0.0065 0.0157 1
Mycobacterium ulcerans carbonic anhydrase 0.1446 0.7253 0.7253
Trichomonas vaginalis conserved hypothetical protein 0.1981 1 1
Entamoeba histolytica carbonic anhydrase, putative 0.1446 0.7253 1
Brugia malayi hypoxia-induced factor 1 0.0145 0.0569 0.0841
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1351 0.6764 0.9326
Echinococcus multilocularis carbonic anhydrase 0.0619 0.3001 0.4437
Entamoeba histolytica ankyrin, putative 0.0068 0.017 0.0235
Loa Loa (eye worm) hypothetical protein 0.0619 0.3001 0.2929
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0875 0.4317 0.6099
Echinococcus granulosus carbonic anhydrase II 0.1351 0.6764 1
Schistosoma mansoni carbonic anhydrase-related 0.0619 0.3001 0.4138
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.0068 0.017 1
Echinococcus granulosus carbonic anhydrase 0.0619 0.3001 0.4437
Trichomonas vaginalis conserved hypothetical protein 0.1981 1 1
Toxoplasma gondii hypothetical protein 0.0619 0.3001 0.5
Echinococcus granulosus dynactin 5 p25 0.0068 0.017 0.0252
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0783 0.3846 0.5687
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.1351 0.6764 0.9326
Schistosoma mansoni carbonic anhydrase-related 0.0619 0.3001 0.4138
Echinococcus granulosus thymidine phosphorylase 0.1256 0.6272 0.9274
Loa Loa (eye worm) hypothetical protein 0.0158 0.0631 0.0076
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.0039 0.0022 0.003
Schistosoma mansoni hypothetical protein 0.0619 0.3001 0.4138
Schistosoma mansoni single-minded 0.0047 0.0063 0.0087
Leishmania major carbonic anhydrase-like protein 0.1351 0.6764 0.9324
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0619 0.3001 0.4437
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.1256 0.6272 0.8876
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.1351 0.6764 0.746
Plasmodium falciparum carbonic anhydrase 0.0619 0.3001 0.5
Mycobacterium ulcerans hypothetical protein 0.0039 0.0022 0.0022
Loa Loa (eye worm) carbonic anhydrase 3 0.1351 0.6764 0.746
Brugia malayi PAS domain containing protein 0.0047 0.0063 0.0093
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0619 0.3001 0.4437
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.0068 0.017 0.0211
Entamoeba histolytica acetyltransferase, putative 0.0068 0.017 0.0235
Schistosoma mansoni aryl hydrocarbon receptor 0.0047 0.0063 0.0087
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1446 0.7253 1

Activities

Activity type Activity value Assay description Source Reference
ED100 (functional) = 14 mg kg-1 Anti-inflammatory activity was assessed by estimating threshold pain response after oral administration to rats ChEMBL. 3494124
ED30 (functional) = 20 mg kg-1 Anti-inflammatory activity was assessed by estimating kaolin-induced edema in rat hind paw, by administering orally ChEMBL. 3494124
ED50 (functional) = 2.2 mg kg-1 Ulcerogenic potential was assessed in a rat model by the enhancement of stress-induced gastric mucosal lesions after oral administration ChEMBL. 3494124

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.