Detailed information for compound 779463

Basic information

Technical information
  • TDR Targets ID: 779463
  • Name: (3-fluorophenyl)-(4-propylsulfonylpiperazin-1 -yl)methanone
  • MW: 314.376 | Formula: C14H19FN2O3S
  • H donors: 0 H acceptors: 3 LogP: 1.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)N1CCN(CC1)C(=O)c1cccc(c1)F
  • InChi: 1S/C14H19FN2O3S/c1-2-10-21(19,20)17-8-6-16(7-9-17)14(18)12-4-3-5-13(15)11-12/h3-5,11H,2,6-10H2,1H3
  • InChiKey: YEZYQUKANCHEJF-UHFFFAOYSA-N  

Network

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Synonyms

  • (3-fluorophenyl)-(4-propylsulfonyl-1-piperazinyl)methanone
  • Oprea1_484496
  • ST061065
  • Oprea1_126736
  • (3-Fluoro-phenyl)-[4-(propane-1-sulfonyl)-piperazin-1-yl]-methanone
  • BAS 03153034
  • ZINC00120135
  • EU-0010382

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 cytosolic malate dehydrogenase 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Echinococcus granulosus malate dehydrogenase 0.0379 1 1
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Chlamydia trachomatis malate dehydrogenase 0.0189 0.3717 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0077 0 0.5
Plasmodium falciparum L-lactate dehydrogenase 0.0189 0.3717 0.5
Leishmania major mitochondrial malate dehydrogenase 0.0379 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0189 0.3717 0.5
Schistosoma mansoni malate dehydrogenase 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.0189 0.3717 0.3717
Echinococcus granulosus lactate dehydrogenase a 0.0189 0.3717 0.3717
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0379 1 1
Onchocerca volvulus 0.0077 0 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0189 0.3717 0.3717
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0379 1 1
Toxoplasma gondii malate dehydrogenase MDH 0.0189 0.3717 0.5
Trypanosoma brucei glycosomal malate dehydrogenase 0.0379 1 1
Plasmodium vivax malate dehydrogenase, putative 0.0189 0.3717 0.5
Schistosoma mansoni malate dehydrogenase 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Echinococcus granulosus malate dehydrogenase 0.0379 1 1
Echinococcus multilocularis malate dehydrogenase 0.0379 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0189 0.3717 0.3717
Echinococcus multilocularis lactate dehydrogenase a 0.0189 0.3717 0.3717
Schistosoma mansoni malate dehydrogenase 0.0379 1 1
Echinococcus granulosus lactate dehydrogenase a 0.0189 0.3717 0.3717
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0379 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Echinococcus multilocularis lactate dehydrogenase a 0.0189 0.3717 0.3717
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Onchocerca volvulus 0.0077 0 0.5
Schistosoma mansoni malate dehydrogenase 0.0189 0.3717 0.3717
Plasmodium falciparum malate dehydrogenase 0.0189 0.3717 0.5
Toxoplasma gondii lactate dehydrogenase LDH1 0.0189 0.3717 0.5
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0189 0.3717 0.5
Echinococcus granulosus survival motor neuron protein 1 0.0212 0.4465 0.4465
Loa Loa (eye worm) hypothetical protein 0.0212 0.4465 0.4465
Entamoeba histolytica malate dehydrogenase, putative 0.0189 0.3717 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Plasmodium falciparum lactate dehydrogenase, putative 0.0189 0.3717 0.5
Leishmania major malate dehydrogenase 0.0379 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.3717 1
Echinococcus granulosus lactate dehydrogenase protein 0.0189 0.3717 0.3717
Loa Loa (eye worm) malate dehydrogenase 0.0189 0.3717 0.3717
Echinococcus granulosus L lactate dehydrogenase B chain 0.0189 0.3717 0.3717
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Plasmodium vivax lactate/malate dehydrogenase, putative 0.0189 0.3717 0.5
Echinococcus granulosus cytosolic malate dehydrogenase 0.0189 0.3717 0.3717
Echinococcus multilocularis lactate dehydrogenase a 0.0189 0.3717 0.3717
Entamoeba histolytica malate dehydrogenase, putative 0.0189 0.3717 0.5
Schistosoma mansoni L-lactate dehydrogenase 0.0189 0.3717 0.3717
Onchocerca volvulus Neuropeptide F receptor homolog 0.0077 0 0.5
Leishmania major glycosomal malate dehydrogenase 0.0379 1 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.3717 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0189 0.3717 0.5
Loa Loa (eye worm) malate dehydrogenase 0.0379 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Onchocerca volvulus 0.0077 0 0.5
Echinococcus multilocularis malate dehydrogenase 0.0379 1 1
Brugia malayi hypothetical protein 0.0212 0.4465 0.4465
Echinococcus multilocularis lactate dehydrogenase protein 0.0189 0.3717 0.3717
Mycobacterium ulcerans malate dehydrogenase 0.0189 0.3717 0.5
Giardia lamblia Malate dehydrogenase 0.0189 0.3717 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.3717 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0189 0.3717 1
Onchocerca volvulus 0.0077 0 0.5
Plasmodium vivax lactate dehydrogenase 0.0189 0.3717 0.5
Onchocerca volvulus 0.0077 0 0.5
Trypanosoma cruzi malate dehydrogenase, putative 0.0379 1 1
Onchocerca volvulus 0.0077 0 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0212 0.4465 0.4465
Onchocerca volvulus 0.0077 0 0.5
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0189 0.3717 0.3717
Onchocerca volvulus 0.0077 0 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0379 1 1
Brugia malayi lactate dehydrogenase. 0.0189 0.3717 0.3717
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0189 0.3717 0.5
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0189 0.3717 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0189 0.3717 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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