Detailed information for compound 1562344

Basic information

Technical information
  • TDR Targets ID: 1562344
  • Name: N-(4-phenylpiperazine-1-carbothioyl)furan-2-c arboxamide
  • MW: 315.39 | Formula: C16H17N3O2S
  • H donors: 1 H acceptors: 1 LogP: 2.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCN(CC1)c1ccccc1)NC(=O)c1ccco1
  • InChi: 1S/C16H17N3O2S/c20-15(14-7-4-12-21-14)17-16(22)19-10-8-18(9-11-19)13-5-2-1-3-6-13/h1-7,12H,8-11H2,(H,17,20,22)
  • InChiKey: VMQSRQMKYPXHHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(4-phenyl-1-piperazinyl)-thioxomethyl]-2-furancarboxamide
  • N-(4-phenylpiperazine-1-carbothioyl)-2-furamide
  • N-(4-phenylpiperazin-1-yl)carbothioylfuran-2-carboxamide
  • ZINC03257727

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
Schistosoma mansoni hypothetical protein 0.0039 0.0006 0.0006
Schistosoma mansoni roundabout 0.0039 0.0005 0.0005
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.0337 0.1136
Trypanosoma cruzi aurora B kinase, putative 0.0536 0.116 0.2952
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0043 0.0014 0.002
Trypanosoma cruzi cytochrome P450, putative 0.0349 0.0727 0.1256
Echinococcus multilocularis roundabout 2 0.0224 0.0436 0.0625
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.131 0.2962 0.4242
Entamoeba histolytica protein kinase, putative 0.0536 0.116 0.3907
Loa Loa (eye worm) hypothetical protein 0.0185 0.0345 0.1167
Schistosoma mansoni septate junction protein 0.0039 0.0005 0.0005
Echinococcus granulosus peroxidasin 0.0039 0.0006 0.0008
Brugia malayi Cytochrome P450 family protein 0.0349 0.0727 0.2455
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0006 0.0008
Echinococcus granulosus Immunoglobulin 0.0182 0.0337 0.0482
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1069 0.2401 0.8107
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.131 0.2962 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0211 0.0406 0.5
Brugia malayi serine/threonine protein kinase 6 0.0536 0.116 0.3918
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0056 0.0043 0.0147
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0039 0.0005 0.0017
Entamoeba histolytica serine/threonine protein kinase, putative 0.131 0.2962 1
Onchocerca volvulus Tyrosine kinase homolog 0.0889 0.1983 0.6694
Schistosoma mansoni tyrosine kinase 0.0124 0.0203 0.0203
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0039 0.0005 0.0005
Schistosoma mansoni cytochrome P450 0.0211 0.0406 0.0406
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0039 0.0005 0.0007
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.02 0.038 0.0544
Schistosoma mansoni septate junction protein 0.0039 0.0005 0.0005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.0041 0.0138
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0211 0.0406 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0039 0.0005 0.0018
Echinococcus multilocularis peroxidasin 0.0039 0.0006 0.0008
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0211 0.0406 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0182 0.0337 0.0337
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0211 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.02 0.038 0.1283
Trypanosoma cruzi polo-like protein kinase, putative 0.131 0.2962 1
Echinococcus granulosus fibroblast growth factor receptor 4 0.0124 0.0203 0.0291
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0124 0.0203 0.0291
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0006 0.0006
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0211 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Echinococcus multilocularis neuroglian 0.0202 0.0384 0.055
Loa Loa (eye worm) AUR protein kinase 0.0536 0.116 0.3918
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0211 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Echinococcus multilocularis aurora kinase A 0.0536 0.116 0.1662
Trypanosoma brucei polo-like protein kinase 0.131 0.2962 1
Echinococcus multilocularis Immunoglobulin 0.0182 0.0337 0.0482
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0039 0.0005 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0211 0.0406 0.5
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0043 0.0014 0.002
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0039 0.0005 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.1069 0.2401 0.8107
Trypanosoma cruzi cytochrome P450, putative 0.0349 0.0727 0.1256
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.3038 0.6982 1
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0043 0.0014 0.0014
Schistosoma mansoni cell adhesion molecule 0.0043 0.0014 0.0014
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0039 0.0005 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0014 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0145 0.025 0.0846
Echinococcus multilocularis Immunoglobulin 0.0182 0.0337 0.0482
Loa Loa (eye worm) hypothetical protein 0.0339 0.0702 0.237
Loa Loa (eye worm) hypothetical protein 0.0182 0.0337 0.1138
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0043 0.0014 0.002
Loa Loa (eye worm) hypothetical protein 0.0182 0.0337 0.1136
Loa Loa (eye worm) cytochrome P450 family protein 0.0349 0.0727 0.2455
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.0041 0.0138
Loa Loa (eye worm) hypothetical protein 0.0043 0.0014 0.0047
Loa Loa (eye worm) CYP4Cod1 0.0349 0.0727 0.2455
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0124 0.0203 0.0291
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Schistosoma mansoni vesicular amine transporter 0.0182 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0054 0.0041 0.0138
Brugia malayi hypothetical protein 0.0185 0.0345 0.1167
Trypanosoma brucei cytochrome P450, putative 0.0349 0.0727 0.1256
Loa Loa (eye worm) hypothetical protein 0.0185 0.0345 0.1167
Onchocerca volvulus 0.085 0.1892 0.6387
Loa Loa (eye worm) cytochrome P450 family protein 0.0812 0.1804 0.6092
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0182 0.0337 0.0337
Loa Loa (eye worm) AUR protein kinase 0.0536 0.116 0.3918
Schistosoma mansoni serine/threonine protein kinase 0.131 0.2962 0.2962
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0043 0.0014 0.002
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0536 0.116 0.1662
Schistosoma mansoni hypothetical protein 0.0211 0.0406 0.0406
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0039 0.0005 0.0007
Echinococcus multilocularis 0.0211 0.0406 0.0581
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0211 0.0406 0.5
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0211 0.0406 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0349 0.0727 1
Echinococcus granulosus tyrosine protein kinase otk 0.0039 0.0005 0.0007
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0536 0.116 0.1662
Brugia malayi Immunoglobulin I-set domain containing protein 0.0037 0 0.0001
Schistosoma mansoni cell adhesion molecule 0.0043 0.0014 0.0014
Brugia malayi cytochrome P450 0.0211 0.0406 0.1371
Schistosoma mansoni protein kinase 0.0536 0.116 0.116
Brugia malayi serine/threonine kinase 12 0.0536 0.116 0.3918
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0211 0.0406 0.5
Echinococcus multilocularis neuroglian 0.0043 0.0014 0.002
Echinococcus granulosus hemicentin 1 0.0039 0.0005 0.0007
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.3038 0.6982 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0536 0.116 0.5
Schistosoma mansoni nephrin 0.0206 0.0393 0.0393
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0043 0.0014 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0536 0.116 0.116
Echinococcus granulosus contactin 0.0043 0.0014 0.002
Schistosoma mansoni hypothetical protein 0.0037 0.0001 0.0001
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0536 0.116 0.3907
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0043 0.0014 0.0047
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0014 0.0047
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0124 0.0203 0.0291
Brugia malayi Cytochrome P450 family protein 0.0211 0.0406 0.1371
Echinococcus multilocularis roundabout 2 0.0043 0.0014 0.002
Echinococcus granulosus roundabout 2 0.0043 0.0014 0.002
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Giardia lamblia Kinase, PLK 0.131 0.2962 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Brugia malayi Cytochrome P450 family protein 0.0812 0.1804 0.6092
Leishmania major cytochrome p450-like protein 0.0349 0.0727 0.1256
Echinococcus granulosus roundabout 2 0.0224 0.0436 0.0625
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0211 0.0406 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0211 0.0406 0.5
Echinococcus granulosus lachesin 0.0039 0.0005 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0211 0.0406 0.5
Schistosoma mansoni cell adhesion molecule 0.0039 0.0005 0.0005
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0536 0.116 0.5
Loa Loa (eye worm) hypothetical protein 0.0185 0.0345 0.1167
Brugia malayi hypothetical protein 0.0039 0.0006 0.0019
Echinococcus multilocularis hemicentin 1 0.0039 0.0005 0.0007
Schistosoma mansoni nephrin 0.0043 0.0014 0.0014
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0182 0.0337 0.0482
Entamoeba histolytica protein kinase domain containing protein 0.0536 0.116 0.3907
Brugia malayi Prion-like- 0.0039 0.0005 0.0017
Trypanosoma cruzi polo-like protein kinase, putative 0.131 0.2962 1
Loa Loa (eye worm) AUR protein kinase 0.0536 0.116 0.3918
Echinococcus granulosus roundabout 2 0.0043 0.0014 0.002
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.131 0.2962 1
Brugia malayi serine/threonine-protein kinase plk-2 0.131 0.2962 1
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Echinococcus multilocularis tyrosine protein kinase otk 0.0039 0.0005 0.0007
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0211 0.0406 0.5
Echinococcus granulosus neuroglian 0.0043 0.0014 0.002
Echinococcus granulosus neuroglian 0.0202 0.0384 0.055
Echinococcus multilocularis lachesin 0.0039 0.0005 0.0007
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0536 0.116 0.3907
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0211 0.0406 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0211 0.0406 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0211 0.0406 0.5
Brugia malayi Fibronectin type III domain containing protein 0.0185 0.0345 0.1167
Echinococcus multilocularis hemicentin 1 0.0039 0.0005 0.0007
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Brugia malayi Cytochrome P450 family protein 0.0349 0.0727 0.2455
Toxoplasma gondii aurora kinase 0.0536 0.116 1
Schistosoma mansoni titin 0.0039 0.0005 0.0005
Echinococcus granulosus defective proboscis extension response 0.0182 0.0337 0.0482
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.0041 0.0138
Brugia malayi Peroxidasin 0.0039 0.0006 0.0019
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0536 0.116 0.3907
Leishmania major protein kinase, putative 0.0536 0.116 0.2952
Schistosoma mansoni tyrosine kinase 0.0058 0.0049 0.0049
Onchocerca volvulus Serine\/threonine kinase homolog 0.131 0.2962 1
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0001 0.0002
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0037 0 0.0001
Mycobacterium leprae putative cytochrome p450 0.0211 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0221 0.0427 0.1443
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Trypanosoma brucei aurora B kinase 0.0536 0.116 0.2952
Loa Loa (eye worm) hypothetical protein 0.0037 0.0001 0.0002
Brugia malayi serine/threonine-protein kinase 6 0.0536 0.116 0.3918
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0211 0.0406 0.5
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0211 0.0406 0.5
Entamoeba histolytica protein kinase, putative 0.0536 0.116 0.3907
Mycobacterium leprae Conserved hypothetical protein 0.0211 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0138 0.0235 0.0794
Brugia malayi Immunoglobulin I-set domain containing protein 0.0185 0.0345 0.1167
Schistosoma mansoni cell adhesion molecule 0.0204 0.0389 0.0389
Entamoeba histolytica protein kinase , putative 0.0536 0.116 0.3907
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0211 0.0406 0.5
Loa Loa (eye worm) cytochrome P450 0.0211 0.0406 0.1371
Echinococcus granulosus serine:threonine protein kinase PLK1 0.131 0.2962 0.4242
Brugia malayi hypothetical protein 0.0339 0.0702 0.237
Echinococcus granulosus cytochrome P450 2K1 0.0211 0.0406 0.0581
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0006 0.0008
Loa Loa (eye worm) cytochrome P450 family protein 0.0349 0.0727 0.2455
Echinococcus granulosus twitchin 0.0215 0.0413 0.0592
Loa Loa (eye worm) hypothetical protein 0.0039 0.0006 0.0019
Loa Loa (eye worm) hypothetical protein 0.0221 0.0427 0.1443
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Schistosoma mansoni neuroglian 0.0043 0.0014 0.0014
Loa Loa (eye worm) TK protein kinase 0.0145 0.025 0.0846
Trichomonas vaginalis CAMK family protein kinase 0.131 0.2962 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0039 0.0005 0.0017
Echinococcus multilocularis roundabout 2 0.0043 0.0014 0.002
Echinococcus granulosus aurora kinase A 0.0536 0.116 0.1662
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Loa Loa (eye worm) hypothetical protein 0.0039 0.0005 0.0017
Brugia malayi Immunoglobulin I-set domain containing protein 0.0043 0.0014 0.0047

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.

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