Detailed information for compound 879891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 324.438 | Formula: C16H24N2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C16H24N2O3S/c1-16(2,3)12-7-9-13(10-8-12)22(20,21)18-11-5-6-14(18)15(19)17-4/h7-10,14H,5-6,11H2,1-4H3,(H,17,19)/t14-/m0/s1
  • InChiKey: SCDMNIAMFYUMSK-AWEZNQCLSA-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
Brugia malayi Animal haem peroxidase family protein 0.0053 0.0263 0.2419
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0355 1
Brugia malayi hypothetical protein 0.016 0.1086 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0355 0.1934
Schistosoma mansoni hypothetical protein 0.0179 0.1236 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0371 0.2713 0.2713
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0945 0.7139 0.5
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.016 0.1086 1
Echinococcus multilocularis geminin 0.0179 0.1236 1
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 0.5
Schistosoma mansoni hypothetical protein 0.0179 0.1236 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Brugia malayi hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0355 1
Brugia malayi Animal haem peroxidase family protein 0.0053 0.0263 0.2419
Echinococcus granulosus peroxidasin 0.0053 0.0263 0.1094
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1316 1 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0355 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0945 0.7139 1
Onchocerca volvulus 0.016 0.1086 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0355 0.3264
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.0263 0.2419
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0355 0.0943
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0078 0.0722
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Brugia malayi Peroxidasin 0.0053 0.0263 0.2419
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0029 0.0075 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Giardia lamblia Myb 1-like protein 0.0029 0.0075 0.5
Trichomonas vaginalis MYB, putative 0.0029 0.0075 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0355 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0355 0.3264
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0371 0.2713 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) blistered cuticle protein 3 0.0053 0.0263 0.2419
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0355 1
Brugia malayi Blistered cuticle protein 3 0.0053 0.0263 0.2419
Brugia malayi Animal haem peroxidase family protein 0.0053 0.0263 0.2419
Brugia malayi Animal haem peroxidase family protein 0.0053 0.0263 0.2419
Brugia malayi Animal haem peroxidase family protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Loa Loa (eye worm) animal heme peroxidase 0.0053 0.0263 0.2419
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Brugia malayi Cytochrome P450 family protein 0.0029 0.0078 0.0722
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0355 0.1934
Echinococcus multilocularis peroxidasin 0.0053 0.0263 0.1094
Loa Loa (eye worm) hypothetical protein 0.0053 0.0263 0.2419
Echinococcus granulosus geminin 0.0179 0.1236 1

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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