Detailed information for compound 505841

Basic information

Technical information
  • TDR Targets ID: 505841
  • Name: 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfon ylbenzamide
  • MW: 370.894 | Formula: C17H23ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)S(=O)(=O)N1CCCC1)Cl)NC1CCCCC1
  • InChi: 1S/C17H23ClN2O3S/c18-15-9-8-13(17(21)19-14-6-2-1-3-7-14)12-16(15)24(22,23)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
  • InChiKey: PPIHOCGCZJQBTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-chloro-N-cyclohexyl-3-pyrrolidin-1-ylsulfonyl-benzamide
  • 4-chloro-N-cyclohexyl-3-(1-pyrrolidinylsulfonyl)benzamide
  • 4-chloro-N-cyclohexyl-3-pyrrolidinosulfonyl-benzamide
  • 4-chloro-N-cyclohexyl-3-1-pyrrolidinylsulfonylbenzamide
  • ZINC03506545

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 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
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.004 0.0225 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.0504 0.0504
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.004 0.0225 0.5
Echinococcus granulosus transient receptor potential ion channel A 0.011 0.9496 0.9484
Brugia malayi Transient-receptor-potential like protein 0.0042 0.0504 1
Schistosoma mansoni transient receptor potential channel 0.0114 1 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.004 0.0225 0.5
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0042 0.0504 0.0286
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.004 0.0225 0.5
Echinococcus multilocularis short transient receptor potential channel 6 0.0075 0.4881 0.4764
Echinococcus granulosus short transient receptor potential channel 6 0.0075 0.4881 0.4764
Echinococcus granulosus short transient receptor potential channel 6 0.0075 0.4881 0.4764
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.004 0.0225 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.4377 0.4377
Loa Loa (eye worm) hepatopoietin HPO2 0.004 0.0225 0.0225
Echinococcus multilocularis transient receptor potential ion channel A 0.011 0.9496 0.9484
Loa Loa (eye worm) hypothetical protein 0.0114 1 1
Echinococcus granulosus TRP transient receptor potential channel 0.0042 0.0504 0.0286
Toxoplasma gondii Erv1 / Alr family protein 0.004 0.0225 0.5
Leishmania major hypothetical protein, conserved 0.004 0.0225 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0114 1 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0114 1 1
Echinococcus multilocularis short transient receptor potential channel 6 0.0075 0.4881 0.4764
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.004 0.0225 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.004 0.0225 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 74 % Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level relative to CP-55940 ChEMBL. 18255291
Activity (functional) = 74 % Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level relative to CP-55940 ChEMBL. 18255291
EC50 (functional) = 3 nM Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level ChEMBL. 18255291
EC50 (functional) = 3 nM Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level ChEMBL. 18255291
Selectivity ratio (binding) = 85 Selectivity for human CB1 receptor over human CB2 receptor by cAMP assay ChEMBL. 18255291

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

1 literature reference was collected for this gene.

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