Detailed information for compound 1293439

Basic information

Technical information
  • TDR Targets ID: 1293439
  • Name: N-(4-acetylphenyl)-3-(trifluoromethyl)piperid ine-1-carbothioamide
  • MW: 330.368 | Formula: C15H17F3N2OS
  • H donors: 1 H acceptors: 1 LogP: 3.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCCC(C1)C(F)(F)F)Nc1ccc(cc1)C(=O)C
  • InChi: 1S/C15H17F3N2OS/c1-10(21)11-4-6-13(7-5-11)19-14(22)20-8-2-3-12(9-20)15(16,17)18/h4-7,12H,2-3,8-9H2,1H3,(H,19,22)
  • InChiKey: HZZHZVIYKXESAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetylphenyl)-3-(trifluoromethyl)-1-piperidinecarbothioamide
  • N-(4-ethanoylphenyl)-3-(trifluoromethyl)piperidine-1-carbothioamide
  • T5324635
  • MLS000772212
  • SMR000344321

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1312 0.1944
Echinococcus granulosus Smad4 0.0026 0.0025 0.0084
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0025 0.0084
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0277 0.2976 1
Schistosoma mansoni smad1 5 8 and 0.0026 0.0025 0.0037
Schistosoma mansoni hypothetical protein 0.0277 0.2976 0.441
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0277 0.2976 0.2959
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0338 0.5
Schistosoma mansoni smad 0.0026 0.0025 0.0037
Loa Loa (eye worm) RNA binding protein 0.0135 0.1312 0.129
Loa Loa (eye worm) hypothetical protein 0.0277 0.2976 0.2959
Schistosoma mansoni hypothetical protein 0.0598 0.6749 1
Echinococcus multilocularis Smad4 0.0026 0.0025 0.0084
Loa Loa (eye worm) transcription factor SMAD2 0.0375 0.4127 0.4112
Brugia malayi RNA binding protein 0.0135 0.1312 0.129
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1312 0.1944
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0025 0.0084
Brugia malayi hypothetical protein 0.0052 0.0338 0.0314
Brugia malayi N-terminal motif family protein 0.0371 0.4084 0.407
Loa Loa (eye worm) TAR-binding protein 0.0135 0.1312 0.129
Echinococcus granulosus GPCR family 2 0.0277 0.2976 1
Echinococcus multilocularis tar DNA binding protein 0.0135 0.1312 0.4408
Schistosoma mansoni smad1 5 8 and 0.0026 0.0025 0.0037
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0338 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0338 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1312 0.1944
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0338 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0277 0.2976 1
Brugia malayi hypothetical protein 0.0034 0.0121 0.0096
Loa Loa (eye worm) hypothetical protein 0.0052 0.0338 0.0314
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0371 0.4084 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0025 0.0037
Leishmania major hypothetical protein, conserved 0.0052 0.0338 0.5
Schistosoma mansoni smad1 5 8 and 0.0026 0.0025 0.0037
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0025 0.0084
Brugia malayi MH2 domain containing protein 0.0375 0.4127 0.4112
Brugia malayi RNA recognition motif domain containing protein 0.0135 0.1312 0.129
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1312 0.1944
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 0.1312 0.129
Brugia malayi latrophilin 2 splice variant baaae 0.0598 0.6749 0.6741
Schistosoma mansoni hypothetical protein 0.0277 0.2976 0.441
Schistosoma mansoni hypothetical protein 0.0277 0.2976 0.441
Loa Loa (eye worm) hypothetical protein 0.0598 0.6749 0.6741
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0277 0.2976 1
Echinococcus multilocularis GPCR, family 2 0.0277 0.2976 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0025 0.0084
Loa Loa (eye worm) latrophilin receptor protein 2 0.0277 0.2976 0.2959
Loa Loa (eye worm) MH2 domain-containing protein 0.0375 0.4127 0.4112
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0338 0.5
Echinococcus granulosus tar DNA binding protein 0.0135 0.1312 0.4408
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0338 0.5
Loa Loa (eye worm) hypothetical protein 0.0371 0.4084 0.407
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0277 0.2976 1
Schistosoma mansoni Smad4 0.0026 0.0025 0.0037
Echinococcus multilocularis smad 0.0026 0.0025 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0135 0.1312 0.1944
Echinococcus granulosus smad 0.0026 0.0025 0.0084
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0338 0.5
Schistosoma mansoni hypothetical protein 0.0277 0.2976 0.441
Brugia malayi TAR-binding protein 0.0135 0.1312 0.129
Brugia malayi Latrophilin receptor protein 2 0.0277 0.2976 0.2959

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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.

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