Detailed information for compound 441241

Basic information

Technical information
  • TDR Targets ID: 441241
  • Name: (2-fluorophenyl) N-[6-(2-methyl-4,5-diphenyli midazol-1-yl)hexyl]carbamate
  • MW: 471.566 | Formula: C29H30FN3O2
  • H donors: 1 H acceptors: 2 LogP: 6.48 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccccc1F)NCCCCCCn1c(C)nc(c1c1ccccc1)c1ccccc1
  • InChi: 1S/C29H30FN3O2/c1-22-32-27(23-14-6-4-7-15-23)28(24-16-8-5-9-17-24)33(22)21-13-3-2-12-20-31-29(34)35-26-19-11-10-18-25(26)30/h4-11,14-19H,2-3,12-13,20-21H2,1H3,(H,31,34)
  • InChiKey: LHAHTHILLRCRBM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2-fluorophenyl) N-[6-(2-methyl-4,5-diphenyl-imidazol-1-yl)hexyl]carbamate
  • N-[6-(2-methyl-4,5-diphenyl-1-imidazolyl)hexyl]carbamic acid (2-fluorophenyl) ester
  • N-[6-(2-methyl-4,5-diphenyl-imidazol-1-yl)hexyl]carbamic acid (2-fluorophenyl) ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Anandamide amidohydrolase Starlite/ChEMBL References
Homo sapiens fatty acid amide hydrolase Starlite/ChEMBL References
Homo sapiens phospholipase A2, group IVA (cytosolic, calcium-dependent) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Candida albicans hypothetical protein 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Schistosoma mansoni amidase 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
Candida albicans hypothetical protein 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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
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
Onchocerca volvulus 0.1122 1 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.1122 1 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.1122 1 0.5
Onchocerca volvulus 0.1122 1 0.5
Schistosoma mansoni amidase 0.0246 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.1122 1 0.5
Leishmania major fatty-acid desaturase, putative 0.1122 1 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0246 0 0.5
Leishmania major stearic acid desaturase, putative 0.1122 1 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.1122 1 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0246 0 0.5
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1122 1 0.5
Loa Loa (eye worm) acyl-CoA desaturase 0.1122 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0246 0 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.1122 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antinociceptive effect in rat at 10 mg/kg, iv by thermal escape test ChEMBL. 17459705
Activity (functional) 0 Antinociceptive effect in rat persistant pain model assessed as suppression of formalin-induced paw flinches at 20 mg/kg, iv relative to control ChEMBL. 17459705
Activity (functional) 0 Antinociceptive effect in rat persistant pain model assessed as suppression of formalin-induced paw flinches at 20 mg/kg, iv in presence of SR141716A ChEMBL. 17459705
Activity (functional) 0 Effect on neuropathic pain in rat chung model assessed as reversal of tactile allodynia at 20 mg/kg, iv ChEMBL. 17459705
IC50 (binding) = 1.7 nM Inhibition of human FAAH expressed in human H4 cells ChEMBL. 20036536
IC50 (binding) = 2 nM Inhibition of human FAAH expressed in H4 cells ChEMBL. 17459705
IC50 (binding) = 2 nM Inhibition of human FAAH expressed in H4 cells ChEMBL. 17459705
IC50 (binding) = 2 nM Inhibition of FAAH ChEMBL. 18983142
Ki (binding) = 0.002 uM Inhibition of rat cortex FAAH by [3H]anandamide carbon filtration assay ChEMBL. 19072118
Ki (binding) = 15 uM Inhibition of cPLA2 activity ChEMBL. 17459705
Ki (binding) = 15 uM Inhibition of cPLA2 activity ChEMBL. 17459705
Ki (binding) = 23 uM Displacement of [3H]CP55940 from CB1 receptor expressed in HEK cells ChEMBL. 17459705
Ki (binding) = 23 uM Displacement of [3H]CP55940 from CB1 receptor expressed in HEK cells ChEMBL. 17459705
Ki (binding) = 28 uM Displacement of [3H]CP55940 from CB2 receptor expressed in CHO cells ChEMBL. 17459705
Ki (binding) = 28 uM Displacement of [3H]CP55940 from CB2 receptor expressed in CHO cells ChEMBL. 17459705

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

3 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.