Detailed information for compound 47878

Basic information

Technical information
  • TDR Targets ID: 47878
  • Name: 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin- 1-ylpyrazole-3-carboxamide
  • MW: 429.342 | Formula: C22H22Cl2N4O
  • H donors: 1 H acceptors: 2 LogP: 5.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1nc(c(c1c1ccc(cc1)Cl)C)C(=O)NN1CCCCC1
  • InChi: 1S/C22H22Cl2N4O/c1-15-20(22(29)26-27-13-3-2-4-14-27)25-28(19-11-9-18(24)10-12-19)21(15)16-5-7-17(23)8-6-16/h5-12H,2-4,13-14H2,1H3,(H,26,29)
  • InChiKey: JDFAIQMMRYUITC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1,5-bis(4-chlorophenyl)-4-methyl-N-(1-piperidyl)pyrazole-3-carboxamide
  • 1,5-bis(4-chlorophenyl)-4-methyl-N-(1-piperidyl)-3-pyrazolecarboxamide
  • 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidin-1-yl-pyrazole-3-carboxamide
  • 1,5-bis(4-chlorophenyl)-4-methyl-N-piperidino-pyrazole-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Cannabinoid CB1 receptor Starlite/ChEMBL References
Homo sapiens cannabinoid receptor 1 (brain) Starlite/ChEMBL No references
Mus musculus cannabinoid receptor 2 (macrophage) Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica adenosine deaminase, putative 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0361 0.0361
Echinococcus granulosus Immunoglobulin 0.0009 0.0029 0.0029
Brugia malayi hypothetical protein 0.0009 0.0029 0.0029
Leishmania major adenine aminohydrolase 0.0168 1 1
Trypanosoma cruzi AMP deaminase 2, putative 0.0055 0.2892 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.2892 0.5
Entamoeba histolytica adenosine deaminase, putative 0.0168 1 1
Brugia malayi Fibronectin type III domain containing protein 0.0009 0.0029 0.0029
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.2892 0.5
Brugia malayi adenosine monophosphate deaminase 0.0055 0.2892 0.2892
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0009 0.0029 0.0029
Echinococcus multilocularis neuroglian 0.0011 0.0175 0.0175
Trypanosoma brucei AMP deaminase, putative 0.0055 0.2892 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Echinococcus granulosus AMP deaminase 2 0.0055 0.2892 0.2892
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Onchocerca volvulus 0.0135 0.7929 0.7929
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0168 1 1
Mycobacterium ulcerans adenosine deaminase 0.0168 1 0.5
Echinococcus multilocularis Immunoglobulin 0.0009 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Echinococcus granulosus defective proboscis extension response 0.0009 0.0029 0.0029
Trichomonas vaginalis adenosine deaminase, putative 0.0168 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0168 1 1
Onchocerca volvulus 0.0055 0.2892 0.2892
Echinococcus granulosus roundabout 2 0.0014 0.0361 0.0361
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0009 0.0029 0.0029
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0055 0.2892 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0012 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0113 0.6566 0.6566
Schistosoma mansoni adenosine deaminase 0.0168 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.2892 0.5
Schistosoma mansoni cell adhesion molecule 0.0012 0.0216 0.0216
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0009 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0014 0.0361 0.0361
Schistosoma mansoni AMP deaminase 0.0055 0.2892 0.2892
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Echinococcus multilocularis AMP deaminase 2 0.0055 0.2892 0.2892
Echinococcus granulosus neuroglian 0.0011 0.0175 0.0175
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.2892 0.5
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0055 0.2892 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0148 0.8738 0.8738
Echinococcus multilocularis adenosine deaminase 0.0168 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.0168 1 0.5
Trypanosoma brucei AMP deaminase, putative 0.0055 0.2892 0.5
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0055 0.2892 0.5
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Schistosoma mansoni nephrin 0.0011 0.0175 0.0175
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.0168 1 0.5
Plasmodium vivax adenosine deaminase, putative 0.0168 1 1
Plasmodium falciparum adenosine deaminase 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.6566 0.6566
Brugia malayi Immunoglobulin I-set domain containing protein 0.0148 0.8738 0.8738
Schistosoma mansoni vesicular amine transporter 0.0009 0.0029 0.0029
Onchocerca volvulus AMP deaminase 2 homolog 0.0055 0.2892 0.2892
Loa Loa (eye worm) hypothetical protein 0.0113 0.6566 0.6566
Echinococcus multilocularis Immunoglobulin 0.0009 0.0029 0.0029
Brugia malayi Immunoglobulin I-set domain containing protein 0.0009 0.0029 0.0029
Echinococcus granulosus adenosine deaminase 0.0168 1 1
Schistosoma mansoni adenosine deaminase-related 0.0168 1 1
Trypanosoma brucei AMP deaminase, putative 0.0055 0.2892 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0138 0.8127 0.8127
Echinococcus multilocularis roundabout 2 0.0014 0.0361 0.0361
Treponema pallidum adenosine deaminase 0.0168 1 0.5
Loa Loa (eye worm) AMP deaminase 0.0055 0.2892 0.2892
Onchocerca volvulus Adenosine deaminase homolog 0.0168 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.6566 0.6566
Loa Loa (eye worm) hypothetical protein 0.0055 0.2892 0.2892
Trypanosoma cruzi AMP deaminase, putative 0.0055 0.2892 0.5
Echinococcus granulosus twitchin 0.0011 0.0175 0.0175
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.0168 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0216 0.0216

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.219 Antagonist activity at CB1 receptor (unknown origin) ChEMBL. No reference
Ki (binding) = 55 nM Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes. ChEMBL. 11906286
Ki (binding) = 55 nM Inhibition of [3H]-CP-55,940 binding to cannabinoid receptor 1 in rat brain membranes. ChEMBL. 11906286
Ki (binding) = 60.4 nM Binding affinity against Cannabinoid receptor 1 in rat forebrain ChEMBL. 10052983
Ki (binding) = 60.4 nM Binding affinity against Cannabinoid receptor 1 in rat forebrain ChEMBL. 10052983
Ki (binding) = 60.4 nM Antagonist activity at CB1 receptor (unknown origin) ChEMBL. No reference
Ki (binding) = 836 nM Binding affinity against Cannabinoid receptor 2 in mouse spleen ChEMBL. 10052983
Ki (binding) = 836 nM Binding affinity against Cannabinoid receptor 2 in mouse spleen ChEMBL. 10052983
Ratio (binding) = 14 Ratio of the binding affinities of the compound against rat CB1 to that of mouse CB2; activity value is 1:14 ChEMBL. 10052983
Ratio (binding) = 14 Ratio of the binding affinities of the compound against rat CB1 to that of mouse CB2; activity value is 1:14 ChEMBL. 10052983

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

2 literature references were collected for this gene.

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