Detailed information for compound 1263546

Basic information

Technical information
  • TDR Targets ID: 1263546
  • Name: N-(furan-2-ylmethyl)-1-propylsulfonylpiperidi ne-3-carboxamide
  • MW: 314.4 | Formula: C14H22N2O4S
  • H donors: 1 H acceptors: 3 LogP: 0.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCS(=O)(=O)N1CCCC(C1)C(=O)NCc1ccco1
  • InChi: 1S/C14H22N2O4S/c1-2-9-21(18,19)16-7-3-5-12(11-16)14(17)15-10-13-6-4-8-20-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H,15,17)
  • InChiKey: LXTOCXCBURQHBZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-furylmethyl)-1-propylsulfonyl-piperidine-3-carboxamide
  • N-(2-furylmethyl)-1-propylsulfonyl-3-piperidinecarboxamide
  • N-(2-furylmethyl)-1-propylsulfonyl-nipecotamide
  • N-(furan-2-ylmethyl)-1-propylsulfonyl-piperidine-3-carboxamide
  • N-(2-furylmethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
  • MLS000046615
  • EU-0064842
  • SMR000032626

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
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.004 0.0755 0.1175
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0755 0.1904
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0453 0.0705
Loa Loa (eye worm) hypothetical protein 0.0052 0.1205 0.1164
Trypanosoma brucei unspecified product 0.004 0.0755 0.1904
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1814 0.1146
Trichomonas vaginalis set domain proteins, putative 0.026 0.958 0.9546
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0405 0.063
Brugia malayi ImpB/MucB/SamB family protein 0.0094 0.289 0.2719
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.1814 0.4961
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Echinococcus granulosus geminin 0.0182 0.6425 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0131 0.0204
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.1814 0.2823
Giardia lamblia DINP protein human, muc B family 0.004 0.0755 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1814 0.1814
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.1769 0.2754
Mycobacterium ulcerans glutaminase 0.0271 1 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.1205 0.1875
Trypanosoma cruzi DNA polymerase eta, putative 0.0094 0.289 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Loa Loa (eye worm) hypothetical protein 0.0042 0.0829 0.0786
Loa Loa (eye worm) hypothetical protein 0.0045 0.0933 0.089
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.1769 0.2754
Plasmodium vivax SET domain protein, putative 0.0033 0.0453 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1814 0.1146
Schistosoma mansoni hypothetical protein 0.0182 0.6425 0.6425
Brugia malayi glutaminase DH11.1 0.0271 1 1
Trichomonas vaginalis glutaminase, putative 0.0271 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Leishmania major DNA polymerase eta, putative 0.0066 0.1774 0.4775
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1814 0.1814
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.004 0.0755 0.0755
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0755 0.1904
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.1814 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0066 0.1774 0.9709
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1814 0.1146
Echinococcus multilocularis geminin 0.0182 0.6425 1
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0755 0.1904
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.1205 0.1875
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0453 0.0453
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Trypanosoma brucei DNA polymerase eta, putative 0.0094 0.289 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0453 0.0453
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0131 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Loa Loa (eye worm) glutaminase 0.0271 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.004 0.0755 0.0755
Echinococcus multilocularis dna polymerase kappa 0.004 0.0755 0.1175
Onchocerca volvulus 0.026 0.958 1
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Trypanosoma cruzi DNA polymerase eta, putative 0.0066 0.1774 0.4775
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0131 0.0131
Brugia malayi Pre-SET motif family protein 0.0033 0.0453 0.0223
Brugia malayi Bromodomain containing protein 0.0082 0.2443 0.2261
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.8313 0.8305
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1205 0.1205
Echinococcus granulosus dna polymerase kappa 0.004 0.0755 0.1175
Entamoeba histolytica deoxycytidyl transferase, putative 0.004 0.0755 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Echinococcus multilocularis dna polymerase eta 0.0094 0.289 0.4498
Schistosoma mansoni bromodomain containing protein 0.007 0.1927 0.1927
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0755 0.1904
Leishmania major DNA polymerase eta, putative 0.0094 0.289 1
Loa Loa (eye worm) hypothetical protein 0.0094 0.289 0.2857
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0721 0.1122
Schistosoma mansoni hypothetical protein 0.0023 0.0047 0.0047
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.1814 1
Brugia malayi Bromodomain containing protein 0.0042 0.0825 0.0604
Schistosoma mansoni DNA polymerase eta 0.0094 0.289 0.289
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.004 0.0755 0.1175
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.1205 0.1205
Brugia malayi Pre-SET motif family protein 0.0229 0.8313 0.8272
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0721 0.1122
Loa Loa (eye worm) hypothetical protein 0.0047 0.1017 0.0975
Loa Loa (eye worm) hypothetical protein 0.0078 0.2255 0.2219
Schistosoma mansoni glutaminase 0.0271 1 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.1814 0.2823
Echinococcus granulosus dna polymerase eta 0.0094 0.289 0.4498
Schistosoma mansoni hypothetical protein 0.0182 0.6425 0.6425
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.004 0.0755 0.0711
Brugia malayi ImpB/MucB/SamB family protein 0.004 0.0755 0.0532

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 28.1838 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
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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