Detailed information for compound 327649

Basic information

Technical information
  • TDR Targets ID: 327649
  • Name: [3-[3-(trifluoromethyl)phenyl]phenyl] N-cyclo hexylcarbamate
  • MW: 363.374 | Formula: C20H20F3NO2
  • H donors: 1 H acceptors: 1 LogP: 5.82 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1cccc(c1)c1cccc(c1)C(F)(F)F)NC1CCCCC1
  • InChi: 1S/C20H20F3NO2/c21-20(22,23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)26-19(25)24-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H,24,25)
  • InChiKey: JYZZPZMZPZIKIU-UHFFFAOYSA-N  

Network

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Synonyms

  • N-cyclohexylcarbamic acid [3-[3-(trifluoromethyl)phenyl]phenyl] ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W) Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni neuroligin 3 (S09 family) 0.0266 0.0256 0.0256
Echinococcus granulosus carboxylesterase 5A 0.1573 0.2598 0.2598
Brugia malayi Carboxylesterase family protein 0.0266 0.0256 0.0984
Loa Loa (eye worm) acetylcholinesterase 1 0.1573 0.2598 0.2598
Brugia malayi Carboxylesterase family protein 0.1573 0.2598 1
Echinococcus granulosus BC026374 protein S09 family 0.0266 0.0256 0.0256
Trichomonas vaginalis spcc417.12 protein, putative 0.0266 0.0256 0.5
Loa Loa (eye worm) hypothetical protein 0.5704 1 1
Loa Loa (eye worm) hypothetical protein 0.1573 0.2598 0.2598
Onchocerca volvulus 0.0266 0.0256 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0266 0.0256 0.0256
Brugia malayi Carboxylesterase family protein 0.0266 0.0256 0.0984
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5704 1 1
Loa Loa (eye worm) carboxylesterase 0.1573 0.2598 0.2598
Onchocerca volvulus 0.0266 0.0256 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Schistosoma mansoni acetylcholinesterase 0.0266 0.0256 0.0256
Brugia malayi hypothetical protein 0.0266 0.0256 0.0984
Echinococcus granulosus para nitrobenzyl esterase 0.0266 0.0256 0.0256
Onchocerca volvulus 0.0266 0.0256 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Echinococcus multilocularis acetylcholinesterase 0.1573 0.2598 0.2598
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1573 0.2598 0.2598
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0266 0.0256 0.0256
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Onchocerca volvulus 0.0266 0.0256 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0266 0.0256 0.0256
Echinococcus multilocularis BC026374 protein (S09 family) 0.0266 0.0256 0.0256
Schistosoma mansoni gliotactin 0.0266 0.0256 0.0256
Mycobacterium ulcerans carboxylesterase, LipT 0.0266 0.0256 0.5
Echinococcus granulosus acetylcholinesterase 0.1573 0.2598 0.2598
Loa Loa (eye worm) carboxylesterase 0.0266 0.0256 0.0256
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0266 0.0256 0.0256
Loa Loa (eye worm) carboxylesterase 0.0266 0.0256 0.0256
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0266 0.0256 0.5
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0266 0.0256 0.0256
Echinococcus multilocularis carboxylesterase 5A 0.1573 0.2598 0.2598
Echinococcus granulosus acetylcholinesterase 0.1573 0.2598 0.2598
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0266 0.0256 0.0256
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5704 1 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0266 0.0256 0.5
Echinococcus multilocularis acetylcholinesterase 0.1573 0.2598 0.2598
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0266 0.0256 0.5
Echinococcus multilocularis neuroligin 0.0266 0.0256 0.0256
Echinococcus granulosus neuroligin 0.0266 0.0256 0.0256
Brugia malayi Carboxylesterase family protein 0.0266 0.0256 0.0984
Echinococcus multilocularis hormone sensitive lipase 0.5704 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0266 0.0256 0.0256
Mycobacterium tuberculosis Carboxylesterase LipT 0.0266 0.0256 0.5
Brugia malayi Carboxylesterase family protein 0.1573 0.2598 1
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256
Brugia malayi Carboxylesterase family protein 0.0266 0.0256 0.0984
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.5704 1 1
Onchocerca volvulus 0.0266 0.0256 0.5
Loa Loa (eye worm) hypothetical protein 0.1573 0.2598 0.2598
Loa Loa (eye worm) hypothetical protein 0.0266 0.0256 0.0256

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 145.7 nM Inhibition of [3H]-anandamide binding to fatty acid amide hydrolase of rat brain membranes ChEMBL. 15456244
IC50 (binding) = 145.7 nM Inhibition of [3H]-anandamide binding to fatty acid amide hydrolase of rat brain membranes ChEMBL. 15456244

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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