Detailed information for compound 1490389

Basic information

Technical information
  • TDR Targets ID: 1490389
  • Name: N-(2-furan-2-yl-2-piperidin-1-ylethyl)-4-(met hyl-phenylsulfamoyl)benzamide
  • MW: 467.58 | Formula: C25H29N3O4S
  • H donors: 1 H acceptors: 3 LogP: 3.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)S(=O)(=O)N(c1ccccc1)C)NCC(c1ccco1)N1CCCCC1
  • InChi: 1S/C25H29N3O4S/c1-27(21-9-4-2-5-10-21)33(30,31)22-14-12-20(13-15-22)25(29)26-19-23(24-11-8-18-32-24)28-16-6-3-7-17-28/h2,4-5,8-15,18,23H,3,6-7,16-17,19H2,1H3,(H,26,29)
  • InChiKey: PJZHRYFOZDRAOR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-(methyl-phenyl-sulfamoyl)benzamide
  • N-[2-(2-furyl)-2-(1-piperidyl)ethyl]-4-(methyl-phenylsulfamoyl)benzamide
  • N-[2-(2-furyl)-2-piperidino-ethyl]-4-(methyl-phenyl-sulfamoyl)benzamide
  • N-(2-furan-2-yl-2-piperidin-1-yl-ethyl)-4-(methyl-phenyl-sulfamoyl)benzamide
  • T5546916

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.1739 0.2042 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.641 1 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.1739 0.2042 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.1739 0.2042 0.5
Loa Loa (eye worm) prolyl oligopeptidase 0.4311 0.6424 1
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.641 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0832 0.0498 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0832 0.0498 0.5
Brugia malayi prolyl oligopeptidase family protein 0.4311 0.6424 1
Entamoeba histolytica fatty acid elongase, putative 0.0832 0.0498 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.641 1 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.641 1 0.5
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.4311 0.6424 1
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.1568 0.1751 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.4311 0.6424 1
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.4311 0.6424 1
Brugia malayi prolyl oligopeptidase family protein 0.1739 0.2042 0.1736
Loa Loa (eye worm) hypothetical protein 0.1198 0.1121 0.1745
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.4311 0.6424 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.641 1 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.641 1 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.1739 0.2042 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0832 0.0498 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.1739 0.2042 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.641 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0832 0.0498 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.3753 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) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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