Detailed information for compound 1428446

Basic information

Technical information
  • TDR Targets ID: 1428446
  • Name: 4-(4-chlorobenzoyl)-N-propylpiperidine-1-carb oxamide
  • MW: 308.803 | Formula: C16H21ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCNC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)Cl
  • InChi: 1S/C16H21ClN2O2/c1-2-9-18-16(21)19-10-7-13(8-11-19)15(20)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3,(H,18,21)
  • InChiKey: SOJGXGGHDPRPCO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-chlorobenzoyl)-N-propyl-piperidine-1-carboxamide
  • 4-[(4-chlorophenyl)-oxomethyl]-N-propyl-1-piperidinecarboxamide
  • 4-(4-chlorophenyl)carbonyl-N-propyl-piperidine-1-carboxamide
  • 4-(4-Chloro-benzoyl)-piperidine-1-carboxylic acid propylamide
  • ASN 06587921
  • MLS000122198
  • SMR000119593
  • ZINC04966961

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 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
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
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1354 0.1354
Schistosoma mansoni BC026374 protein (S09 family) 0.0189 0.1354 0.1354
Schistosoma mansoni neuroligin 3 (S09 family) 0.0189 0.1354 0.1354
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Onchocerca volvulus 0.0189 0.1354 0.5
Brugia malayi Carboxylesterase family protein 0.0189 0.1354 0.1354
Mycobacterium ulcerans carboxylesterase, LipT 0.0189 0.1354 0.5
Loa Loa (eye worm) carboxylesterase 0.1118 1 1
Brugia malayi Carboxylesterase family protein 0.0189 0.1354 0.1354
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0189 0.1354 0.1354
Onchocerca volvulus 0.0189 0.1354 0.5
Loa Loa (eye worm) carboxylesterase 0.0189 0.1354 0.1217
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0189 0.1354 0.5
Loa Loa (eye worm) hypothetical protein 0.1118 1 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Brugia malayi Carboxylesterase family protein 0.1118 1 1
Echinococcus granulosus carboxylesterase 5A 0.1118 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0156 0.0156
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Brugia malayi Carboxylesterase family protein 0.0189 0.1354 0.1354
Onchocerca volvulus 0.0189 0.1354 0.5
Echinococcus granulosus acetylcholinesterase 0.1118 1 1
Brugia malayi hypothetical protein 0.0189 0.1354 0.1354
Echinococcus multilocularis para nitrobenzyl esterase 0.0189 0.1354 0.1354
Onchocerca volvulus 0.0189 0.1354 0.5
Loa Loa (eye worm) hypothetical protein 0.1118 1 1
Entamoeba histolytica hypothetical protein 0.0043 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1354 0.1354
Echinococcus granulosus BC026374 protein S09 family 0.0189 0.1354 0.1354
Echinococcus multilocularis BC026374 protein (S09 family) 0.0189 0.1354 0.1354
Schistosoma mansoni acetylcholinesterase 0.0189 0.1354 0.1354
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.1354 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0156 0.0156
Onchocerca volvulus 0.0189 0.1354 0.5
Loa Loa (eye worm) carboxylesterase 0.0189 0.1354 0.1217
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0189 0.1354 0.5
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Echinococcus granulosus neuroligin 0.0189 0.1354 0.1354
Loa Loa (eye worm) acetylcholinesterase 1 0.1118 1 1
Brugia malayi Carboxylesterase family protein 0.0189 0.1354 0.1354
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0189 0.1354 0.1354
Trichomonas vaginalis spcc417.12 protein, putative 0.0189 0.1354 0.5
Schistosoma mansoni gliotactin 0.0189 0.1354 0.1354
Echinococcus multilocularis acetylcholinesterase 0.1118 1 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0189 0.1354 0.1354
Echinococcus multilocularis neuroligin 0.0189 0.1354 0.1354
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1118 1 1
Echinococcus multilocularis carboxylesterase 5A 0.1118 1 1
Echinococcus multilocularis acetylcholinesterase 0.1118 1 1
Echinococcus granulosus para nitrobenzyl esterase 0.0189 0.1354 0.1354
Echinococcus granulosus acetylcholinesterase 0.1118 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0189 0.1354 0.5
Loa Loa (eye worm) hypothetical protein 0.0189 0.1354 0.1217

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0828 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) 0.3294 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) 2.9093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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