Detailed information for compound 1589703

Basic information

Technical information
  • TDR Targets ID: 1589703
  • Name: N-methyl-N-(4-phenylpiperazine-1-carbothioyl) furan-2-carboxamide
  • MW: 329.417 | Formula: C17H19N3O2S
  • H donors: 0 H acceptors: 1 LogP: 2.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N(C(=O)c1ccco1)C)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C17H19N3O2S/c1-18(16(21)15-8-5-13-22-15)17(23)20-11-9-19(10-12-20)14-6-3-2-4-7-14/h2-8,13H,9-12H2,1H3
  • InChiKey: COTRWEKTJLXBKS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-N-[(4-phenyl-1-piperazinyl)-thioxomethyl]-2-furancarboxamide
  • N-methyl-N-(4-phenylpiperazine-1-carbothioyl)-2-furamide
  • N-methyl-N-(4-phenylpiperazin-1-yl)carbothioyl-furan-2-carboxamide
  • NSC656453
  • 2-Furancarboxamide, N-methyl-N-[(4-phenyl-1-piperazinyl)thioxomethyl]-
  • AIDS-112872
  • AIDS112872
  • NCI60_019566

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

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal 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 NCI-H23 Non-Small Cell Lung 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 UO-31 Renal 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 ACHN Renal 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 HL-60(TB) Leukemia 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 HOP-92 Non-Small Cell Lung 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 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 SK-MEL-5 Melanoma 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 MALME-3M Melanoma 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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