Detailed information for compound 1401345

Basic information

Technical information
  • TDR Targets ID: 1401345
  • Name: N-(phenylmethyl)piperidine-1-carbothioamide
  • MW: 234.36 | Formula: C13H18N2S
  • H donors: 1 H acceptors: 0 LogP: 2.49 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCCCC1)NCc1ccccc1
  • InChi: 1S/C13H18N2S/c16-13(15-9-5-2-6-10-15)14-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,14,16)
  • InChiKey: ODCBSMJLEWRRSJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(phenylmethyl)-1-piperidinecarbothioamide
  • N-(benzyl)piperidine-1-carbothioamide
  • MLS000663822
  • N-benzyl-1-piperidinecarbothioamide
  • SMR000292354
  • ZINC00466414

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.0688 0.8078
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0417 0.0923
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Brugia malayi Smad1 0.0008 0.0026 0.0256
Brugia malayi dUTP diphosphatase 0.0152 0.0851 1
Echinococcus multilocularis cpg binding protein 0.0034 0.0175 0.0151
Schistosoma mansoni NADH-ubiquinone oxidoreductase 0.0076 0.0417 0.2053
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0053 0.0281 0.5
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Schistosoma mansoni hypothetical protein 0.0356 0.203 1
Echinococcus multilocularis neuropeptide receptor A26 0.049 0.2797 0.278
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Schistosoma mansoni thymidine kinase 0.034 0.1936 0.9538
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0417 0.0923
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Schistosoma mansoni smad1 5 8 and 0.0008 0.0026 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Brugia malayi CXXC zinc finger family protein 0.0032 0.0164 0.1883
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Brugia malayi Deoxynucleoside kinase family protein 0.0076 0.0417 0.4868
Schistosoma mansoni cpg binding protein 0.0034 0.0175 0.0861
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Loa Loa (eye worm) dUTP diphosphatase 0.0152 0.0851 1
Echinococcus granulosus NADH ubiquinone oxidoreductase 42 kDa subunit 0.0076 0.0417 0.1415
Schistosoma mansoni smad 0.0008 0.0026 0.013
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Echinococcus multilocularis dUTP pyrophosphatase 0.0152 0.0851 0.0828
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0053 0.0281 0.0624
Schistosoma mansoni cpg binding protein 0.0032 0.0164 0.0808
Trypanosoma cruzi thymidine kinase, putative 0.0786 0.4506 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0036 0.0041
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0152 0.0851 0.4191
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0026 0.0002
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0336 1
Echinococcus granulosus neuropeptide s receptor 0.049 0.2797 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0336 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0005 0.0023
Schistosoma mansoni serine/threonine protein kinase 0.0103 0.0574 0.2826
Brugia malayi MH2 domain containing protein 0.0008 0.0026 0.0256
Trypanosoma brucei thymidine kinase 0.0786 0.4506 1
Echinococcus multilocularis geminin 0.0356 0.203 0.201
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0336 0.1658
Echinococcus granulosus dUTP pyrophosphatase 0.0152 0.0851 0.298
Echinococcus multilocularis thymidine kinase 0.034 0.1936 0.1916
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0265 0.1303
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Brugia malayi MH1 domain containing protein 0.0008 0.0026 0.0256
Trichomonas vaginalis thymidine kinase, putative 0.0786 0.4506 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0036 0.0364
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0053 0.0281 0.0624
Entamoeba histolytica hypothetical protein 0.0053 0.0281 0.0624
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0036 0.0011
Giardia lamblia Thymidine kinase 0.0786 0.4506 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0026 0.013
Brugia malayi MH1 domain containing protein 0.0008 0.0026 0.0256
Echinococcus multilocularis transfer RNA-Ile 0.034 0.1936 0.1916
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0336 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0336 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0265 0.307
Trichomonas vaginalis thymidine kinase, putative 0.0786 0.4506 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0103 0.0574 1
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0273 0.0604
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0024 0.012
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0265 0.307
Echinococcus granulosus thymidine kinase 0.034 0.1936 0.6894
Schistosoma mansoni smad1 5 8 and 0.0008 0.0026 0.013
Entamoeba histolytica serine/threonine protein kinase, putative 0.0103 0.0574 0.1273
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.002 0.0043
Entamoeba histolytica hypothetical protein 0.0175 0.0986 0.2189
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0228 0.1289 0.2861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0265 0.0241
Echinococcus granulosus neuropeptide receptor A26 0.049 0.2797 1
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0152 0.0851 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Brugia malayi serine/threonine-protein kinase plk-2 0.0103 0.0574 0.6724
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0265 0.0866
Echinococcus multilocularis smad 0.0008 0.0026 0.0002
Trichomonas vaginalis helicase, putative 0.0007 0.002 0.0043
Echinococcus multilocularis neuropeptide s receptor 0.049 0.2797 0.278
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0152 0.0851 1
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0152 0.0851 1
Brugia malayi MH2 domain containing protein 0.0123 0.0688 0.8078
Trichomonas vaginalis thymidine kinase, putative 0.0786 0.4506 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.002 0.0043
Entamoeba histolytica thymidine kinase, putative 0.0786 0.4506 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Loa Loa (eye worm) deoxynucleoside kinase 0.0076 0.0417 0.4868
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0417 0.0923
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0152 0.0851 1
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0026 0.0256
Echinococcus granulosus thymidine kinase 0.034 0.1936 0.6894
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0152 0.0851 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0417 0.0923
Schistosoma mansoni smad1 5 8 and 0.0008 0.0026 0.013
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0103 0.0574 0.0551
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0164 0.1883
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Schistosoma mansoni hypothetical protein 0.0356 0.203 1
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0336 0.0115
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0228 0.1289 0.2861
Loa Loa (eye worm) Smad1 0.0008 0.0026 0.0256
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0265 0.0866
Entamoeba histolytica hypothetical protein 0.0152 0.0851 0.1888
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0373 0.1836
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.0688 0.8078
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0026 0.0002
Echinococcus granulosus smad 0.0008 0.0026 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0273 0.0604
Giardia lamblia Kinase, PLK 0.0103 0.0574 0.0384
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0103 0.0574 0.0569
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0265 0.0241
Echinococcus multilocularis thymidine kinase 0.034 0.1936 0.1916
Echinococcus granulosus Smad4 0.0008 0.0026 0.0008
Schistosoma mansoni cpg binding protein 0.0034 0.0175 0.0861
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0026 0.0008
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0336 0.1126
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0152 0.0851 0.1887
Echinococcus granulosus cpg binding protein 0.0034 0.0175 0.0542
Schistosoma mansoni kinase 0.0053 0.0281 0.1383
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0152 0.0851 0.1888
Echinococcus multilocularis Smad4 0.0008 0.0026 0.0002
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0152 0.0851 1
Schistosoma mansoni Smad4 0.0008 0.0026 0.013
Trypanosoma cruzi thymidine kinase, putative 0.0786 0.4506 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.002 0.0043
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0336 0.0313
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0336 0.1658
Leishmania major thymidine kinase, putative 0.0786 0.4506 1
Entamoeba histolytica hypothetical protein 0.0152 0.0851 0.1888
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0026 0.0256
Trichomonas vaginalis CAMK family protein kinase 0.0103 0.0574 0.1272
Entamoeba histolytica hypothetical protein 0.0175 0.0986 0.2189
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0228 0.1289 0.2861
Echinococcus multilocularis NADH ubiquinone oxidoreductase 42 kDa subunit 0.0076 0.0417 0.0393
Brugia malayi MH2 domain containing protein 0.0008 0.0026 0.0256
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0265 0.1303
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0103 0.0574 0.1981
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0228 0.1289 0.2861
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.0417 0.0923
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0026 0.0008
Entamoeba histolytica hypothetical protein 0.0076 0.0417 0.0925
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0103 0.0574 0.6724
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0265 0.1303
Echinococcus granulosus Thymidine kinase 2 mitochondrial 0.034 0.1936 0.6894
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0035 0.0355
Echinococcus granulosus geminin 0.0356 0.203 0.7232
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.002 0.0043
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0152 0.0851 0.1888

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (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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