Detailed information for compound 1516762

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 367.205 | Formula: C12H12Cl2N2O5S
  • H donors: 3 H acceptors: 4 LogP: 2.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(c(cc1NCc1ccco1)Cl)S(=O)(=O)N.Cl
  • InChi: 1S/C12H11ClN2O5S.ClH/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);1H
  • InChiKey: NXDBFIUCDBZBPP-UHFFFAOYSA-N  

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
Echinococcus multilocularis sodium bile acid cotransporter 0.01 0.0022 0.0023
Echinococcus granulosus sodium bile acid cotransporter 0.01 0.0022 0.0023
Brugia malayi Serotonin receptor 0.0489 0.1363 0.1363
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.095 0.4805
Echinococcus multilocularis carbonic anhydrase II 0.0596 0.1734 0.1785
Echinococcus multilocularis carbonic anhydrase 0.0369 0.095 0.0978
Echinococcus granulosus sodium bile acid cotransporter 0.01 0.0022 0.0023
Schistosoma mansoni CDGSH-type Zn finger-containing protein-like protein 0.0305 0.0729 0.3687
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0143 0.017 0.5
Echinococcus multilocularis sodium bile acid cotransporter 0.01 0.0022 0.0023
Echinococcus multilocularis microtubule associated protein 2 0.0667 0.1977 0.2035
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0596 0.1734 0.1734
Onchocerca volvulus 0.0122 0.0098 1
Loa Loa (eye worm) hypothetical protein 0.1529 0.4953 0.4953
Loa Loa (eye worm) hypothetical protein 0.0369 0.095 0.095
Echinococcus granulosus carbonic anhydrase 0.0369 0.095 0.0978
Loa Loa (eye worm) carbonic anhydrase 3 0.0596 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.1083 0.3415 0.3415
Schistosoma mansoni sodium-bile acid cotransporter related 0.01 0.0022 0.0112
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.095 0.4805
Schistosoma mansoni hypothetical protein 0.0369 0.095 0.4805
Loa Loa (eye worm) hypothetical protein 0.0122 0.0098 0.0098
Trypanosoma brucei carbonic anhydrase-like protein 0.0596 0.1734 0.1734
Loa Loa (eye worm) hypothetical protein 0.0369 0.095 0.095
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.095 0.095
Echinococcus multilocularis carbonic anhydrase 0.0369 0.095 0.0978
Echinococcus multilocularis cdgsh iron sulfur domain containing protein 0.0288 0.0669 0.0689
Schistosoma mansoni hypothetical protein 0.0205 0.0382 0.1933
Mycobacterium ulcerans short chain dehydrogenase 0.0676 0.2009 1
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0596 0.1734 0.1734
Echinococcus multilocularis conserved hypothetical protein 0.067 0.1987 0.2045
Echinococcus multilocularis carbonic anhydrase 0.0369 0.095 0.0978
Schistosoma mansoni carbonic anhydrase 0.0369 0.095 0.4805
Echinococcus granulosus geminin 0.0205 0.0382 0.0393
Mycobacterium leprae HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE 0.0115 0.0072 0.5
Brugia malayi Uncharacterized hematopoietic stem/progenitor cells protein MDS029 0.0122 0.0098 0.0098
Echinococcus granulosus carbonic anhydrase 0.0369 0.095 0.0978
Schistosoma mansoni carbonic anhydrase-related 0.0369 0.095 0.4805
Brugia malayi Angiotensin-converting enzyme family protein 0.0935 0.2904 0.2904
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0596 0.1734 0.1734
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0143 0.017 1
Schistosoma mansoni microtubule-associated protein tau 0.0667 0.1977 1
Echinococcus granulosus cdgsh iron sulfur domain containing protein 0.0288 0.0669 0.0689
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.095 0.095
Schistosoma mansoni sodium-bile acid cotransporter related 0.01 0.0022 0.0112
Echinococcus granulosus tachykinin peptides receptor 99D 0.2909 0.9714 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0022 0.0022
Echinococcus granulosus sodium bile acid cotransporter 0.01 0.0022 0.0023
Echinococcus granulosus microtubule associated protein 2 0.0667 0.1977 0.2035
Schistosoma mansoni hypothetical protein 0.0205 0.0382 0.1933
Mycobacterium tuberculosis Probable oxidoreductase 0.0676 0.2009 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0369 0.095 0.095
Schistosoma mansoni hypothetical protein 0.0305 0.0729 0.3687
Plasmodium falciparum carbonic anhydrase 0.0369 0.095 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0596 0.1734 0.1734
Echinococcus multilocularis tachykinin peptides receptor 99D 0.2909 0.9714 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0935 0.2904 0.2904
Echinococcus multilocularis sodium bile acid cotransporter 0.01 0.0022 0.0023
Brugia malayi Sodium Bile acid symporter family protein 0.01 0.0022 0.0022
Echinococcus granulosus carbonic anhydrase 0.0369 0.095 0.0978
Echinococcus granulosus Solute carrier family 22 5 0.125 0.399 0.4107
Echinococcus granulosus hypothetical protein 0.0712 0.2134 0.2197
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0369 0.095 0.095
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0369 0.095 0.095
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0369 0.095 0.095
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0143 0.017 0.5
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0143 0.017 0.1785
Echinococcus multilocularis geminin 0.0205 0.0382 0.0393
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0143 0.017 0.5
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0596 0.1734 0.1734
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0596 0.1734 0.8773
Onchocerca volvulus 0.01 0.0022 0.2249
Toxoplasma gondii hypothetical protein 0.0369 0.095 1
Leishmania major carbonic anhydrase-like protein 0.0596 0.1734 0.1734
Echinococcus granulosus carbonic anhydrase II 0.0596 0.1734 0.1785
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0596 0.1734 0.8773

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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