Detailed information for compound 1456659

Basic information

Technical information
  • TDR Targets ID: 1456659
  • Name: N-[2-(3-chlorophenyl)ethyl]-1-[(4-chloropheny l)methyl]-6-oxopiperidine-3-carboxamide
  • MW: 405.318 | Formula: C21H22Cl2N2O2
  • H donors: 1 H acceptors: 2 LogP: 3.78 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CN1CC(CCC1=O)C(=O)NCCc1cccc(c1)Cl
  • InChi: 1S/C21H22Cl2N2O2/c22-18-7-4-16(5-8-18)13-25-14-17(6-9-20(25)26)21(27)24-11-10-15-2-1-3-19(23)12-15/h1-5,7-8,12,17H,6,9-11,13-14H2,(H,24,27)
  • InChiKey: RKTFGZADEHTVTK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]-6-oxo-piperidine-3-carboxamide
  • N-[2-(3-chlorophenyl)ethyl]-1-[(4-chlorophenyl)methyl]-6-oxo-3-piperidinecarboxamide
  • 1-(4-chlorobenzyl)-N-[2-(3-chlorophenyl)ethyl]-6-keto-nipecotamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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 serine/threonine protein kinase 0.0141 1 1
Giardia lamblia 5-AMP-activated protein kinase, gamma-1 subunit 0.0135 0.9407 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Loa Loa (eye worm) CAMK/CAMKL/AMPK protein kinase 0.0141 1 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.4013 1
Trypanosoma cruzi SNF1-related protein kinase regulatory subunit beta, putative 0.0067 0.3524 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0073 0.4013 1
Loa Loa (eye worm) loechrig isoform VII 0.0135 0.9407 0.9407
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0064 0.3207 0.3207
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus granulosus 5' AMP activated protein kinase subunit gamma 0.0135 0.9407 0.9407
Echinococcus granulosus AMPK beta subunit 0.0067 0.3524 0.3524
Schistosoma mansoni hypothetical protein 0.0041 0.1226 0.1226
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0067 0.3524 0.3524
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.396 0.396
Echinococcus granulosus 5' AMP activated protein kinase catalytic 0.0141 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1226 0.1226
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus multilocularis AMPK beta subunit 0.0067 0.3524 0.3524
Echinococcus multilocularis 5' AMP activated protein kinase subunit beta 1 0.0036 0.0791 0.0791
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0072 0.396 0.396
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2893 0.2893
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0073 0.4013 1
Schistosoma mansoni protein kinase subunit gamma 0.0135 0.9407 0.9407
Trypanosoma cruzi 5'-AMP-activated protein kinase subunit beta, putative 0.0067 0.3524 1
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0073 0.4013 0.4013
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0135 0.9407 0.9407
Toxoplasma gondii aldehyde dehydrogenase 0.0072 0.396 1
Echinococcus granulosus 5' AMP activated protein kinase subunit beta 1 0.0036 0.0791 0.0791
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Schistosoma mansoni protein kinase subunit beta 0.0067 0.3524 0.3524
Brugia malayi loechrig isoform VII 0.0135 0.9407 0.9407
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2893 0.2893
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.4013 0.4013
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Schistosoma mansoni protein kinase subunit beta 0.0036 0.0791 0.0791
Schistosoma mansoni aldehyde dehydrogenase 0.0072 0.396 0.396
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus multilocularis 5' AMP activated protein kinase subunit gamma 0.0126 0.8678 0.8678
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0073 0.4013 1
Toxoplasma gondii 5'-AMP-activated protein kinase subunit beta-1 family protein, putative 0.004 0.1106 0.2793
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.2893 0.2893
Onchocerca volvulus Alicorn homolog 0.0059 0.2778 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0072 0.396 0.396
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0072 0.396 0.9868
Leishmania major hypothetical protein, conserved 0.0067 0.3524 0.8782
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2893 0.2893
Echinococcus multilocularis 5' AMP activated protein kinase catalytic 0.0141 1 1
Brugia malayi 5'-AMP-activated protein kinase, beta subunit, complex-interacting region containing protein 0.0067 0.3524 0.3524
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0027 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1226 0.1226
Trypanosoma brucei 5'-AMP-activated protein kinase subunit beta 0.0067 0.3524 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0073 0.4013 0.4013
Plasmodium falciparum serine/threonine protein kinase KIN 0.0027 0 0.5
Loa Loa (eye worm) 5'-AMP-activated protein kinase 0.0067 0.3524 0.3524
Giardia lamblia 5-AMP-activated protein kinase, beta-1 subunit 0.0067 0.3524 0.3747
Trichomonas vaginalis CAMK family protein kinase 0.0027 0 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0073 0.4013 0.4013

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 42.2841 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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