Detailed information for compound 1803230

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 258.764 | Formula: C12H15ClO2S
  • H donors: 1 H acceptors: 1 LogP: 2.83 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC1Sc2ccccc2C(C1Cl)O)C
  • InChi: 1S/C12H15ClO2S/c1-7(2)15-12-10(13)11(14)8-5-3-4-6-9(8)16-12/h3-7,10-12,14H,1-2H3
  • InChiKey: AAGPWJDBHBNNOU-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
Echinococcus granulosus excitatory amino acid transporter 3 0.1013 0.6774 0.6774
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0449 0.2805 0.4141
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.0554 0.0818
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0215 0.1159 0.1711
Loa Loa (eye worm) excitatory amino acid transporter 0.1013 0.6774 1
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1159 0.1711
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.1013 0.6774 1
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1159 0.1159
Schistosoma mansoni alpha-glucosidase 0.0154 0.0732 0.108
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.1013 0.6774 0.6774
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.1013 0.6774 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0554 0.5
Plasmodium falciparum carbonic anhydrase 0.0215 0.1159 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0554 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0215 0.1159 0.1711
Echinococcus granulosus Excitatory amino acid transporter 0.1013 0.6774 0.6774
Echinococcus granulosus carbonic anhydrase 0.0215 0.1159 0.1159
Treponema pallidum glutamate/aspartate transporter 0.0449 0.2805 0.5
Echinococcus granulosus carbonic anhydrase II 0.0579 0.3721 0.3721
Echinococcus granulosus carbonic anhydrase 0.0215 0.1159 0.1159
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.0908 0.0908
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.0908 0.134
Schistosoma mansoni carbonic anhydrase 0.0215 0.1159 0.1711
Echinococcus multilocularis excitatory amino acid transporter 3 0.1013 0.6774 0.6774
Echinococcus multilocularis excitatory amino acid transporter 2 0.1013 0.6774 0.6774
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1159 0.1711
Schistosoma mansoni apoptosis regulator bax 0.0118 0.0472 0.0697
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0579 0.3721 0.5493
Echinococcus multilocularis neutral amino acid transporter A 0.1013 0.6774 0.6774
Leishmania major carbonic anhydrase-like protein 0.0579 0.3721 1
Echinococcus granulosus carbonic anhydrase 0.0215 0.1159 0.1159
Chlamydia trachomatis glutamate symporter 0.1013 0.6774 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.1013 0.6774 0.6774
Brugia malayi MH2 domain containing protein 0.0131 0.057 0.0842
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0129 0.0554 0.0554
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.0908 0.134
Echinococcus granulosus excitatory amino acid transporter 2 0.1013 0.6774 0.6774
Echinococcus multilocularis sodium:dicarboxylate symporter 0.1013 0.6774 0.6774
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0118 0.0472 0.0697
Echinococcus granulosus neutral amino acid transporter 0.1013 0.6774 0.6774
Echinococcus multilocularis muscleblind protein 0.0164 0.0803 0.0803
Schistosoma mansoni hypothetical protein 0.0215 0.1159 0.1711
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0579 0.3721 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.1013 0.6774 0.6774
Treponema pallidum glutamate transporter 0.0449 0.2805 0.5
Echinococcus multilocularis muscleblind protein 1 0.0164 0.0803 0.0803
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0449 0.2805 0.4141
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0215 0.1159 0.1711
Schistosoma mansoni hypothetical protein 0.0118 0.0472 0.0697
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0449 0.2805 0.2805
Echinococcus multilocularis carbonic anhydrase II 0.0579 0.3721 0.3721
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0579 0.3721 0.5493
Loa Loa (eye worm) hypothetical protein 0.0215 0.1159 0.1711
Echinococcus granulosus Excitatory amino acid transporter 0.1013 0.6774 0.6774
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0579 0.3721 0.5493
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0118 0.0472 0.0697
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.057 0.0842
Trypanosoma brucei carbonic anhydrase-like protein 0.0579 0.3721 0.5
Echinococcus multilocularis Excitatory amino acid transporter 0.1013 0.6774 0.6774
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0118 0.0472 0.0472
Toxoplasma gondii hypothetical protein 0.0215 0.1159 1
Echinococcus granulosus neutral amino acid transporter A 0.1013 0.6774 0.6774
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1159 0.1159
Schistosoma mansoni hypothetical protein 0.0118 0.0472 0.0697
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1159 0.1711
Echinococcus granulosus neutral amino acid transporter A 0.1013 0.6774 0.6774
Echinococcus granulosus muscleblind protein 0.0164 0.0803 0.0803
Brugia malayi Excitatory amino acid transporter 0.1013 0.6774 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0129 0.0554 0.0554
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0118 0.0472 0.0472
Schistosoma mansoni alpha-glucosidase 0.0154 0.0732 0.108
Loa Loa (eye worm) hypothetical protein 0.0164 0.0803 0.1185
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.1439 0.2125
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0579 0.3721 0.5
Echinococcus granulosus excitatory amino acid transporter 2 0.1013 0.6774 0.6774
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.057 0.0842
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.1013 0.6774 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0129 0.0554 0.0818
Loa Loa (eye worm) hypothetical protein 0.0118 0.0472 0.0697
Loa Loa (eye worm) carbonic anhydrase 3 0.0579 0.3721 0.5493
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.0908 0.0908
Schistosoma mansoni hypothetical protein 0.0118 0.0472 0.0697
Mycobacterium ulcerans aldehyde dehydrogenase 0.0129 0.0554 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.1013 0.6774 0.6774
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.0908 0.0908
Schistosoma mansoni carbonic anhydrase-related 0.0215 0.1159 0.1711
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.1472 1 1
Loa Loa (eye worm) hypothetical protein 0.0164 0.0803 0.1185
Echinococcus multilocularis carbonic anhydrase 0.0215 0.1159 0.1159
Loa Loa (eye worm) hypothetical protein 0.0215 0.1159 0.1711
Brugia malayi follicle stimulating hormone receptor 0.0255 0.1439 0.2125
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1159 0.1711
Loa Loa (eye worm) hypothetical protein 0.0215 0.1159 0.1711
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0579 0.3721 0.5493
Echinococcus multilocularis neutral amino acid transporter A 0.1013 0.6774 0.6774
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0449 0.2805 0.2805
Brugia malayi Muscleblind-like protein 0.0164 0.0803 0.1185
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.1427 0.1404
Onchocerca volvulus Excitatory amino acid transporter homolog 0.1013 0.6774 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0215 0.1159 0.1711
Loa Loa (eye worm) apoptosis regulator protein 0.0118 0.0472 0.0697
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0579 0.3721 0.5493
Echinococcus granulosus sodium:dicarboxylate symporter 0.1013 0.6774 0.6774

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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