Detailed information for compound 1325585

Basic information

Technical information
  • TDR Targets ID: 1325585
  • Name: N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)f uran-2-carboxamide
  • MW: 364.416 | Formula: C17H20N2O5S
  • H donors: 1 H acceptors: 3 LogP: 2.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)N1CCCCC1)NC(=O)c1ccco1
  • InChi: 1S/C17H20N2O5S/c1-23-14-8-7-13(18-17(20)15-6-5-11-24-15)12-16(14)25(21,22)19-9-3-2-4-10-19/h5-8,11-12H,2-4,9-10H2,1H3,(H,18,20)
  • InChiKey: KNWPPKQHBGSMBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]furan-2-carboxamide
  • N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-2-furancarboxamide
  • N-(4-methoxy-3-piperidinosulfonyl-phenyl)-2-furamide
  • N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)furan-2-carboxamide
  • ZINC05578716
  • T5257030

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
Loa Loa (eye worm) MH2 domain-containing protein 0.0263 0.1126 1
Toxoplasma gondii thioredoxin reductase 0.0104 0.0331 0.1194
Brugia malayi ImpB/MucB/SamB family protein 0.0042 0.0018 0.0161
Trypanosoma cruzi DNA polymerase eta, putative 0.0069 0.0156 0.453
Brugia malayi RNA binding protein 0.0071 0.0164 0.1458
Echinococcus granulosus thioredoxin glutathione reductase 0.0104 0.0331 0.1918
Plasmodium falciparum glutathione reductase 0.0104 0.0331 0.5
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0059 0.0103 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0042 0.0018 0.0821
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0164 0.1458
Schistosoma mansoni DNA polymerase eta 0.0069 0.0156 0.0931
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.1461 0.7127 1
Loa Loa (eye worm) RNA binding protein 0.0071 0.0164 0.1458
Loa Loa (eye worm) hypothetical protein 0.0182 0.072 0.6395
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.016 0.0609 0.541
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.016 0.0609 0.541
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0018 0.0195
Echinococcus multilocularis dna polymerase kappa 0.0042 0.0018 0.0045
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0018 0.0195
Echinococcus multilocularis dna polymerase eta 0.0069 0.0156 0.0873
Brugia malayi TAR-binding protein 0.0071 0.0164 0.1458
Schistosoma mansoni terminal deoxycytidyl transferase 0.0042 0.0018 0.0108
Plasmodium falciparum thioredoxin reductase 0.0104 0.0331 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0042 0.0018 0.0108
Trichomonas vaginalis MYB72, putative 0.0058 0.0101 0.9835
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0264 0.1132 0.1567
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0164 0.0978
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0059 0.0102 0.0339
Leishmania major DNA polymerase eta, putative 0.0069 0.0156 0.453
Trichomonas vaginalis C-MYB, putative 0.0058 0.0101 0.9835
Echinococcus granulosus dna polymerase eta 0.0069 0.0156 0.0873
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0164 0.1458
Loa Loa (eye worm) glutathione reductase 0.0104 0.0331 0.2935
Trypanosoma brucei trypanothione reductase 0.0104 0.0331 1
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0573 0.2682 0.2669
Giardia lamblia Myb 1-like protein 0.0059 0.0102 0.1202
Trypanosoma brucei DNA polymerase eta, putative 0.0069 0.0156 0.4421
Trichomonas vaginalis C-MYB, putative 0.0058 0.0101 0.9835
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0058 0.0101 1
Loa Loa (eye worm) thioredoxin reductase 0.0104 0.0331 0.2935
Trichomonas vaginalis pc-MYB2, putative 0.0058 0.0101 0.9835
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.2034 1 0.5
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0058 0.0101 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0089 0.0786
Loa Loa (eye worm) hypothetical protein 0.0056 0.0089 0.0786
Echinococcus granulosus dna polymerase kappa 0.0042 0.0018 0.0045
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0164 0.0978
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0058 0.0101 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0182 0.072 1
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0164 0.0921
Leishmania major DNA polymerase kappa, putative 0.0042 0.0018 0.0195
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.2034 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0089 0.0786
Brugia malayi glutathione reductase 0.0104 0.0331 0.2935
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0059 0.0103 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0264 0.1132 0.0217
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.016 0.0609 0.3589
Echinococcus granulosus geminin 0.0373 0.1679 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0042 0.0018 0.0161
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0182 0.072 0.4254
Loa Loa (eye worm) hypothetical protein 0.0069 0.0156 0.1387
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0011 0.0063
Brugia malayi hypothetical protein 0.004 0.0011 0.0095
Loa Loa (eye worm) transcription factor SMAD2 0.0263 0.1126 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0042 0.0018 0.0195
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0264 0.1132 0.1567
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0164 0.1458
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0089 0.0786
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0182 0.072 0.4254
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0042 0.0018 0.0045
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.1461 0.7127 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0182 0.072 0.429
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Mycobacterium tuberculosis Probable dehydrogenase 0.0238 0.0999 0.138
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0238 0.0999 0.138
Brugia malayi ImpB/MucB/SamB family protein 0.0069 0.0156 0.1387
Mycobacterium tuberculosis Probable reductase 0.0238 0.0999 0.138
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0238 0.0999 0.138
Echinococcus multilocularis geminin 0.0373 0.1679 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Schistosoma mansoni hypothetical protein 0.0373 0.1679 1
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0573 0.2682 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Trichomonas vaginalis MYB, putative 0.0059 0.0103 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.016 0.0609 0.3589
Plasmodium vivax glutathione reductase, putative 0.0104 0.0331 0.5
Schistosoma mansoni hypothetical protein 0.0373 0.1679 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Schistosoma mansoni hypothetical protein 0.004 0.0011 0.0063
Trichomonas vaginalis pc-MYB2, putative 0.0058 0.0101 0.9835
Echinococcus multilocularis thioredoxin glutathione reductase 0.0104 0.0331 0.1918
Brugia malayi Thioredoxin reductase 0.0104 0.0331 0.2935
Brugia malayi MH2 domain containing protein 0.0263 0.1126 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0058 0.0101 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0018 0.0195
Trypanosoma cruzi DNA polymerase kappa, putative 0.0042 0.0018 0.0195
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0182 0.072 0.4254
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0164 0.0978
Echinococcus granulosus tar DNA binding protein 0.0071 0.0164 0.0921
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0238 0.0999 0.138
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0104 0.0331 0.044
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0042 0.0018 0.0045
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0058 0.0101 1
Leishmania major trypanothione reductase 0.0104 0.0331 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0573 0.2682 0.2746
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0164 0.0978
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0182 0.072 0.2654
Mycobacterium tuberculosis Probable oxidoreductase 0.0264 0.1132 0.1567
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.2034 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0238 0.0999 0.138
Trichomonas vaginalis MYB3r3, putative 0.0058 0.0101 0.9835
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0058 0.0101 0.9835
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0182 0.072 0.4254
Trypanosoma cruzi trypanothione reductase, putative 0.0104 0.0331 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0164 0.0978
Plasmodium vivax thioredoxin reductase, putative 0.0104 0.0331 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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