Detailed information for compound 1165077

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 404.525 | Formula: C15H20N2O5S3
  • H donors: 3 H acceptors: 5 LogP: 2.19 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNCc1ccc(cc1O)S(=O)(=O)c1csc(c1)S(=O)(=O)N)C
  • InChi: 1S/C15H20N2O5S3/c1-10(2)7-17-8-11-3-4-12(5-14(11)18)24(19,20)13-6-15(23-9-13)25(16,21)22/h3-6,9-10,17-18H,7-8H2,1-2H3,(H2,16,21,22)
  • InChiKey: LUBVOJWTFYDBIZ-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
Onchocerca volvulus 0.0091 0.4091 0.5
Brugia malayi RNA binding protein 0.0141 0.7242 1
Giardia lamblia Kinase, CMGC MAPK 0.0058 0.2024 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0058 0.2024 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0058 0.2024 1
Schistosoma mansoni hypothetical protein 0.0185 1 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0058 0.2024 1
Schistosoma mansoni tar DNA-binding protein 0.0141 0.7242 0.6542
Entamoeba histolytica hypothetical protein 0.0025 0 0.5
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.4091 0.2592
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0058 0.2024 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.2024 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0141 0.7242 1
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0025 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0141 0.7242 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.2024 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0058 0.2024 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.2024 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.7242 0.6542
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0025 0 0.5
Brugia malayi TAR-binding protein 0.0141 0.7242 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0025 0 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.4091 0.2592
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.2024 0.5
Mycobacterium leprae conserved hypothetical protein 0.0025 0 0.5
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0025 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0141 0.7242 0.6542
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.4091 0.3962
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0025 0 0.5
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.4091 0.2592
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0025 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0141 0.7242 1
Trypanosoma brucei protein kinase, putative 0.0058 0.2024 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0025 0 0.5
Echinococcus multilocularis tar DNA binding protein 0.0141 0.7242 0.6542
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0058 0.2024 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.7242 0.6542
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0025 0 0.5
Schistosoma mansoni hypothetical protein 0.0185 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0058 0.2024 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0058 0.2024 0.5
Schistosoma mansoni tar DNA-binding protein 0.0141 0.7242 0.6542
Loa Loa (eye worm) hypothetical protein 0.0091 0.4091 0.3962
Loa Loa (eye worm) RNA binding protein 0.0141 0.7242 1
Echinococcus multilocularis geminin 0.0185 1 1
Schistosoma mansoni tar DNA-binding protein 0.0141 0.7242 0.6542

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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