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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.