Detailed information for compound 814875

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 480.641 | Formula: C23H32N2O5S2
  • H donors: 1 H acceptors: 3 LogP: 3.53 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(NS(=O)(=O)c1sc2c(c1C(=O)OC)CCN(C2)Cc1cc(C)c(cc1C)C)C
  • InChi: 1S/C23H32N2O5S2/c1-14-9-16(3)18(10-15(14)2)11-25-8-7-19-20(12-25)31-23(21(19)22(26)30-6)32(27,28)24-17(4)13-29-5/h9-10,17,24H,7-8,11-13H2,1-6H3
  • InChiKey: QFWZZNASDQQULU-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
Schistosoma mansoni memapsin-2 (A01 family) 0.0467 0.1759 0.0474
Echinococcus granulosus carboxylesterase 5A 0.2388 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0403 0.1488 1
Trichomonas vaginalis spcc417.12 protein, putative 0.0403 0.1488 1
Loa Loa (eye worm) carboxylesterase 0.2388 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0403 0.1488 1
Brugia malayi hypothetical protein 0.0403 0.1488 0.0752
Schistosoma mansoni acetylcholinesterase 0.0403 0.1488 0.016
Echinococcus granulosus acetylcholinesterase 0.2388 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0403 0.1488 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.1264 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0403 0.1488 0.016
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Loa Loa (eye worm) carboxylesterase 0.0403 0.1488 0.0867
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0403 0.1488 0.016
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Brugia malayi Carboxylesterase family protein 0.2388 1 1
Echinococcus multilocularis acetylcholinesterase 0.2388 1 1
Echinococcus granulosus acetylcholinesterase 0.2388 1 1
Echinococcus multilocularis acetylcholinesterase 0.2388 1 1
Brugia malayi Carboxylesterase family protein 0.0403 0.1488 0.0752
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0166 0.047 0.3643
Loa Loa (eye worm) hypothetical protein 0.2388 1 1
Onchocerca volvulus 0.0403 0.1488 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0351 0.1264 1
Onchocerca volvulus 0.0403 0.1488 1
Brugia malayi Carboxylesterase family protein 0.0403 0.1488 0.0752
Loa Loa (eye worm) acetylcholinesterase 1 0.2388 1 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0403 0.1488 0.016
Echinococcus multilocularis carboxylesterase 5A 0.2388 1 1
Onchocerca volvulus 0.0403 0.1488 1
Brugia malayi Carboxylesterase family protein 0.0403 0.1488 0.0752
Leishmania major mitochondrial DNA polymerase beta 0.0351 0.1264 1
Loa Loa (eye worm) hypothetical protein 0.0802 0.3198 0.2701
Mycobacterium tuberculosis Carboxylesterase LipT 0.0403 0.1488 1
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Schistosoma mansoni gliotactin 0.0403 0.1488 0.016
Schistosoma mansoni BC026374 protein (S09 family) 0.0403 0.1488 0.016
Toxoplasma gondii hypothetical protein 0.0057 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2388 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0403 0.1488 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0242 0.0796 0.0124
Loa Loa (eye worm) hypothetical protein 0.2388 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0351 0.1264 1
Loa Loa (eye worm) carboxylesterase 0.0403 0.1488 0.0867
Onchocerca volvulus 0.0403 0.1488 1
Brugia malayi Amyloid A4 extracellular domain containing protein 0.1018 0.4123 0.3615
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0403 0.1488 0.016
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.0905 0.378
Loa Loa (eye worm) hypothetical protein 0.0431 0.1605 0.0993
Loa Loa (eye worm) hypothetical protein 0.0403 0.1488 0.0867
Onchocerca volvulus 0.0403 0.1488 1
Brugia malayi Carboxylesterase family protein 0.0403 0.1488 0.0752

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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