Detailed information for compound 1046271

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.317 | Formula: C12H16O5S
  • H donors: 2 H acceptors: 5 LogP: 1.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(S(=O)(=O)O)CC(=O)c1ccc(cc1)C(C)C
  • InChi: 1S/C12H16O5S/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)18(15,16)17/h3-6,8,12,14H,7H2,1-2H3,(H,15,16,17)
  • InChiKey: OLEKRXNKEPFKFX-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
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Loa Loa (eye worm) hypothetical protein 0.0099 0.0687 0.1173
Schistosoma mansoni hypothetical protein 0.0064 0.04 0.054
Toxoplasma gondii hypothetical protein 0.0274 0.2101 1
Schistosoma mansoni Smad4 0.0025 0.0085 0.0115
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0738 0.5852 0.7907
Brugia malayi MH1 domain containing protein 0.0025 0.0085 0.0145
Loa Loa (eye worm) ctsf protein 0.0017 0.0021 0.0034
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Echinococcus granulosus carbonic anhydrase 0.0274 0.2101 0.359
Schistosoma mansoni hypothetical protein 0.0064 0.04 0.054
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0357 0.0576
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0738 0.5852 1
Schistosoma mansoni smad 0.0025 0.0085 0.0115
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0085 0.0145
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0085 0.0145
Schistosoma mansoni smad1 5 8 and 0.0025 0.0085 0.0115
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0274 0.2101 0.359
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0021 0.0036
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0738 0.5852 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0021 0.0036
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0738 0.5852 1
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0014 0.0001 0.0001
Echinococcus granulosus cathepsin l1 0.0017 0.0021 0.0036
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0021 0.0036
Loa Loa (eye worm) hypothetical protein 0.0137 0.0996 0.1701
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0085 0.0144
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0402 0.0653
Schistosoma mansoni hypothetical protein 0.0274 0.2101 0.2839
Schistosoma mansoni carbonic anhydrase-related 0.0274 0.2101 0.2839
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Brugia malayi Latrophilin receptor protein 2 0.0064 0.04 0.0683
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0274 0.2101 0.359
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0085 0.0145
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.04 0.0683
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0085 0.0115
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.0996 0.1702
Brugia malayi MH1 domain containing protein 0.0025 0.0085 0.0145
Leishmania major carbonic anhydrase-like protein 0.0738 0.5852 0.7901
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.093 0.7402 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0085 0.0145
Loa Loa (eye worm) hypothetical protein 0.0201 0.151 0.258
Schistosoma mansoni hypothetical protein 0.0064 0.04 0.054
Schistosoma mansoni hypothetical protein 0.0137 0.0996 0.1346
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0291 0.0464
Echinococcus granulosus carbonic anhydrase 0.0274 0.2101 0.359
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0021 0.0036
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.04 0.0683
Onchocerca volvulus 0.0099 0.0687 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0021 0.0034
Echinococcus multilocularis carbonic anhydrase 0.0274 0.2101 0.359
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0738 0.5852 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0201 0.151 0.2581
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Schistosoma mansoni carbonic anhydrase-related 0.0274 0.2101 0.2839
Brugia malayi Smad1 0.0025 0.0085 0.0145
Echinococcus multilocularis cysteine protease 0.0017 0.0021 0.0036
Loa Loa (eye worm) hypothetical protein 0.0064 0.04 0.0681
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0402 0.0653
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0021 0.0036
Schistosoma mansoni carbonic anhydrase-related 0.0274 0.2101 0.2839
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Brugia malayi MH2 domain containing protein 0.0025 0.0085 0.0145
Brugia malayi Cathepsin L-like precursor 0.0017 0.0021 0.0036
Brugia malayi MH2 domain containing protein 0.0025 0.0085 0.0145
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.04 0.0683
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0274 0.2101 0.359
Echinococcus multilocularis cysteine protease 0.0017 0.0021 0.0036
Echinococcus multilocularis GPCR, family 2 0.0064 0.04 0.0683
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.04 0.0683
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0021 0.0028
Echinococcus granulosus carbonic anhydrase 0.0274 0.2101 0.359
Schistosoma mansoni smad1 5 8 and 0.0025 0.0085 0.0115
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0021 0.0034
Loa Loa (eye worm) cysteine protease 0.0017 0.0021 0.0034
Leishmania major carbonic anhydrase family protein, putative 0.093 0.7402 1
Leishmania major cathepsin L-like protease 0.0064 0.0402 0.0516
Echinococcus granulosus GPCR family 2 0.0064 0.04 0.0683
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0687 0.0928
Loa Loa (eye worm) fibroinase 0.0017 0.0021 0.0034
Leishmania major cathepsin L-like protease 0.0064 0.0402 0.0516
Echinococcus multilocularis carbonic anhydrase 0.0274 0.2101 0.359
Brugia malayi MH2 domain containing protein 0.0362 0.2816 0.4811
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0402 0.0653
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0738 0.5852 1
Echinococcus multilocularis carbonic anhydrase 0.0274 0.2101 0.359
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.04 0.0683
Leishmania major cathepsin L-like protease 0.0064 0.0402 0.0516
Loa Loa (eye worm) hypothetical protein 0.0274 0.2101 0.3589
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0638 0.5044 0.5187
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0274 0.2101 0.359
Echinococcus multilocularis tumor protein p63 0.0677 0.5363 0.9164
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0073 0.0473 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.1251 1 1
Echinococcus granulosus Ankyrin 0.0014 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0064 0.04 0.054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0201 0.151 0.2581
Echinococcus granulosus tumor protein p63 0.0677 0.5363 0.9164
Loa Loa (eye worm) Smad1 0.0025 0.0085 0.0144
Echinococcus granulosus carbonic anhydrase II 0.0738 0.5852 1
Echinococcus multilocularis carbonic anhydrase II 0.0738 0.5852 1
Loa Loa (eye worm) hypothetical protein 0.0274 0.2101 0.3589
Schistosoma mansoni smad1 5 8 and 0.0025 0.0085 0.0115
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0201 0.151 0.258
Loa Loa (eye worm) MH2 domain-containing protein 0.0362 0.2816 0.4811
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0021 0.0028
Plasmodium vivax vivapain-2 0.0017 0.0021 0.5
Plasmodium vivax vivapain-2 0.0017 0.0021 0.5
Trichomonas vaginalis conserved hypothetical protein 0.1251 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0738 0.5852 0.7907
Schistosoma mansoni carbonic anhydrase 0.093 0.7402 1
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0402 0.0653
Trypanosoma brucei carbonic anhydrase-like protein 0.0738 0.5852 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0021 0.0034
Echinococcus multilocularis Ankyrin 0.0014 0.0001 0.0002
Loa Loa (eye worm) carbonic anhydrase 3 0.0738 0.5852 1
Echinococcus granulosus Smad4 0.0025 0.0085 0.0145
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.04 0.0681
Echinococcus granulosus smad 0.0025 0.0085 0.0145
Entamoeba histolytica carbonic anhydrase, putative 0.093 0.7402 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0274 0.2101 0.359
Schistosoma mansoni carbonic anhydrase 0.0274 0.2101 0.2839
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0085 0.0144
Loa Loa (eye worm) hypothetical protein 0.0274 0.2101 0.3589
Echinococcus multilocularis Smad4 0.0025 0.0085 0.0145
Loa Loa (eye worm) transcription factor SMAD2 0.0362 0.2816 0.4811
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0959 0.7642 1
Plasmodium falciparum carbonic anhydrase 0.0274 0.2101 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.0073 0.0473 0.0807
Echinococcus multilocularis smad 0.0025 0.0085 0.0145
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0274 0.2101 0.3589

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.
 
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

No literature references available for this target.

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