Detailed information for compound 1591855

Basic information

Technical information
  • TDR Targets ID: 1591855
  • Name: N-[1,1,1,3,3,3-hexafluoro-2-[2-(4-methylpheny l)sulfonylhydrazinyl]propan-2-yl]propanamide
  • MW: 407.332 | Formula: C13H15F6N3O3S
  • H donors: 3 H acceptors: 3 LogP: 3.01 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NNS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C13H15F6N3O3S/c1-3-10(23)20-11(12(14,15)16,13(17,18)19)21-22-26(24,25)9-6-4-8(2)5-7-9/h4-7,21-22H,3H2,1-2H3,(H,20,23)
  • InChiKey: ZAUUUQFEMMYOMK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2,2,2-trifluoro-1-[N'-(4-methylphenyl)sulfonylhydrazino]-1-(trifluoromethyl)ethyl]propanamide
  • N-[2,2,2-trifluoro-1-[N'-(4-methylphenyl)sulfonylhydrazino]-1-(trifluoromethyl)ethyl]propionamide
  • NCI60_025477
  • AIDS-146013
  • AIDS146013
  • N-(2,2,2-Trifluoro-1-(2-((4-methylphenyl)sulfonyl)hydrazino)-1-(trifluoromethyl)ethyl)propanamide
  • NSC671981

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
Mycobacterium ulcerans malate dehydrogenase 0.052 0.3345 0.5
Echinococcus multilocularis malate dehydrogenase 0.0485 0.2988 0.1917
Toxoplasma gondii malate dehydrogenase MDH 0.0712 0.5296 0.5
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0712 0.5296 0.4577
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0485 0.2988 0.7271
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.052 0.3345 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.052 0.3345 1
Entamoeba histolytica malate dehydrogenase, putative 0.0712 0.5296 1
Echinococcus granulosus lactate dehydrogenase protein 0.0712 0.5296 0.4577
Echinococcus granulosus cytosolic malate dehydrogenase 0.052 0.3345 0.2329
Echinococcus multilocularis cytosolic malate dehydrogenase 0.052 0.3345 0.2329
Toxoplasma gondii lactate dehydrogenase LDH1 0.0712 0.5296 0.5
Echinococcus granulosus malate dehydrogenase 0.0485 0.2988 0.1917
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0319 0.1308 0.3911
Schistosoma mansoni L-lactate dehydrogenase 0.0712 0.5296 0.4093
Giardia lamblia Malate dehydrogenase 0.052 0.3345 0.5
Echinococcus multilocularis cytosolic malate dehydrogenase 0.052 0.3345 0.2329
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0712 0.5296 0.5
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.052 0.3345 1
Chlamydia trachomatis malate dehydrogenase 0.052 0.3345 0.5
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0485 0.2988 0.7271
Trypanosoma brucei glycosomal malate dehydrogenase 0.0485 0.2988 0.7271
Echinococcus granulosus malate dehydrogenase 0.0485 0.2988 0.1917
Brugia malayi lactate dehydrogenase. 0.0712 0.5296 0.3291
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Echinococcus multilocularis malate dehydrogenase 0.0485 0.2988 0.1917
Echinococcus multilocularis lactate dehydrogenase a 0.0712 0.5296 0.4577
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1176 1 1
Leishmania major malate dehydrogenase 0.0485 0.2988 0.2918
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Echinococcus multilocularis lactate dehydrogenase a 0.0712 0.5296 0.4577
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.1176 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0712 0.5296 0.4577
Echinococcus granulosus lactate dehydrogenase a 0.0712 0.5296 0.4577
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.052 0.3345 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Leishmania major cytosolic malate dehydrogenase 0.052 0.3345 0.4014
Plasmodium falciparum malate dehydrogenase 0.0712 0.5296 1
Echinococcus multilocularis lactate dehydrogenase a 0.0712 0.5296 0.4577
Loa Loa (eye worm) hypothetical protein 0.0712 0.5296 0.3291
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.052 0.3345 1
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.052 0.3345 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.052 0.3345 0.2329
Echinococcus granulosus L lactate dehydrogenase B chain 0.0712 0.5296 0.4577
Plasmodium falciparum L-lactate dehydrogenase 0.0712 0.5296 1
Schistosoma mansoni malate dehydrogenase 0.0485 0.2988 0.1194
Plasmodium vivax lactate dehydrogenase 0.0712 0.5296 1
Loa Loa (eye worm) malate dehydrogenase 0.052 0.3345 0.0509
Onchocerca volvulus 0.079 0.6085 0.5
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.052 0.3345 0.5
Leishmania major malate dehydrogenase, putative 0.0712 0.5296 1
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.052 0.3345 1
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Echinococcus granulosus lactate dehydrogenase a 0.0712 0.5296 0.4577
Leishmania major mitochondrial malate dehydrogenase 0.0485 0.2988 0.2918
Schistosoma mansoni malate dehydrogenase 0.0712 0.5296 0.4093
Schistosoma mansoni malate dehydrogenase 0.052 0.3345 0.1643
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Plasmodium vivax malate dehydrogenase, putative 0.0712 0.5296 1
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0485 0.2988 0.7271
Trichomonas vaginalis malate dehydrogenase, putative 0.0391 0.2036 0.6089
Trypanosoma brucei cytosolic malate dehydrogenase 0.052 0.3345 1
Leishmania major glycosomal malate dehydrogenase 0.0485 0.2988 0.2918
Echinococcus granulosus lysosomal alpha glucosidase 0.1176 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.052 0.3345 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.1176 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0485 0.2988 0.7271
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0485 0.2988 0.7271
Schistosoma mansoni malate dehydrogenase 0.052 0.3345 0.1643
Brugia malayi Malate dehydrogenase, cytoplasmic 0.052 0.3345 0.0509
Schistosoma mansoni alpha-glucosidase 0.1176 1 1
Schistosoma mansoni alpha-glucosidase 0.1176 1 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0712 0.5296 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.734 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.466 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.425 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.332 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.311 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.302 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.268 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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