Detailed information for compound 671702

Basic information

Technical information
  • TDR Targets ID: 671702
  • Name: ZINC01149193
  • MW: 469.477 | Formula: C21H22F3N3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.36 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1cccc(c1)C(F)(F)F)Nc1ccccc1C(=O)N1CCCC1
  • InChi: 1S/C21H22F3N3O4S/c1-32(30,31)27(16-8-6-7-15(13-16)21(22,23)24)14-19(28)25-18-10-3-2-9-17(18)20(29)26-11-4-5-12-26/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,25,28)
  • InChiKey: MAGOWVNAMXPYEY-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
Echinococcus multilocularis transfer RNA-Lys 0.0072 0.15 0.1698
Schistosoma mansoni lipoxygenase 0.0055 0.0918 0.0134
Giardia lamblia Fructose-bisphosphate aldolase 0.0285 0.8592 1
Loa Loa (eye worm) hypoxia-induced factor 1 0.0302 0.9155 0.9075
Mycobacterium ulcerans putative regulatory protein 0.0072 0.15 0.3982
Onchocerca volvulus 0.0072 0.15 0.1698
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.3733 1
Brugia malayi Animal haem peroxidase family protein 0.0165 0.4587 0.4072
Schistosoma mansoni aryl hydrocarbon receptor 0.0098 0.2344 0.397
Loa Loa (eye worm) animal heme peroxidase 0.0165 0.4587 0.4072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Brugia malayi Animal haem peroxidase family protein 0.0165 0.4587 0.4072
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Onchocerca volvulus Peroxidasin homolog 0.0165 0.4587 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0165 0.4587 0.4072
Treponema pallidum hypothetical protein 0.0028 0.0022 0.0025
Brugia malayi PAS domain containing protein 0.0098 0.2344 0.1617
Mycobacterium ulcerans carbon monoxide dehydrogenase 0.0114 0.2875 0.7688
Schistosoma mansoni peroxidasin 0.0165 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Loa Loa (eye worm) animal heme peroxidase 0.0165 0.4587 0.4072
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0184 0.0436
Onchocerca volvulus Peroxidasin homolog 0.0165 0.4587 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Brugia malayi hypothetical protein 0.0165 0.4587 0.4072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Mycobacterium ulcerans carbon monoxyde dehydrogenase small chain CoxS 0.0033 0.0184 0.0436
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Echinococcus granulosus peroxidasin 0.0165 0.4587 1
Echinococcus granulosus single minded 2 0.0072 0.15 0.1698
Onchocerca volvulus 0.0165 0.4587 1
Onchocerca volvulus Peroxidase homolog 0.0165 0.4587 1
Schistosoma mansoni peroxidasin 0.0165 0.4587 1
Treponema pallidum fructose-bisphosphate aldolase 0.0285 0.8592 1
Mycobacterium ulcerans carbon monoxyde dehydrogenase medium chain CoxM 0.0058 0.1021 0.2693
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Brugia malayi hypoxia-induced factor 1 0.0302 0.9155 0.9075
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.3733 0.5
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.8592 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0918 0.0134
Loa Loa (eye worm) animal heme peroxidase 0.0165 0.4587 0.4072
Brugia malayi Peroxidasin 0.0165 0.4587 0.4072
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.3733 1
Brugia malayi Animal haem peroxidase family protein 0.0165 0.4587 0.4072
Loa Loa (eye worm) animal heme peroxidase 0.0165 0.4587 0.4072
Onchocerca volvulus Chorion peroxidase homolog 0.0165 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0328 1 1
Brugia malayi Animal haem peroxidase family protein 0.0165 0.4587 0.4072
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0051 0.0786 0.2059
Brugia malayi Blistered cuticle protein 3 0.0165 0.4587 0.4072
Echinococcus multilocularis peroxidasin 0.0165 0.4587 1
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxL_2 0.0081 0.1785 0.4752
Toxoplasma gondii EGF family domain-containing protein 0.0053 0.0868 0.5
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Brugia malayi Animal haem peroxidase family protein 0.0165 0.4587 0.4072
Schistosoma mansoni single-minded 0.0098 0.2344 0.397
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (medium chain) 0.0058 0.1021 0.2359
Mycobacterium ulcerans carbon monoxyde dehydrogenase large chain CoxL 0.0081 0.1785 0.4752
Onchocerca volvulus Dual oxidase homolog 0.0165 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0285 0.8592 0.5
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0285 0.8592 1
Onchocerca volvulus 0.0165 0.4587 1
Onchocerca volvulus 0.0165 0.4587 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.4587 0.4072
Mycobacterium tuberculosis Probable carbon monoxyde dehydrogenase (large chain) 0.0081 0.1785 0.4512
Mycobacterium ulcerans aerobic-type carbon monoxide dehydrogenase subunit CoxM_2 0.0058 0.1021 0.2693
Brugia malayi bHLH-PAS transcription factor 0.0072 0.15 0.0691
Onchocerca volvulus Peroxidase homolog 0.0165 0.4587 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0918 0.0134

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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