Detailed information for compound 1834639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.393 | Formula: C20H18F2N6O
  • H donors: 1 H acceptors: 4 LogP: 1.75 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)c1nccc(c1)N1CCN(CC1)C(=O)Nc1cccnn1
  • InChi: 1S/C20H18F2N6O/c21-14-3-4-16(17(22)12-14)18-13-15(5-7-23-18)27-8-10-28(11-9-27)20(29)25-19-2-1-6-24-26-19/h1-7,12-13H,8-11H2,(H,25,26,29)
  • InChiKey: WAAXNSQPUKLPGL-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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

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 multilocularis fatty acid amide hydrolase 1 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 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
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 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 ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative 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
Echinococcus granulosus fatty acid amide hydrolase 1 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
Candida albicans 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

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
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 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
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0144 0.4649 0.5
Echinococcus granulosus geminin 0.0188 0.6962 0.4322
Mycobacterium ulcerans trehalose synthase TreS 0.0144 0.4649 0.5
Loa Loa (eye worm) alpha amylase 0.0144 0.4649 0.4649
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0188 0.6943 0.4287
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0144 0.4649 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0144 0.4649 0.4649
Mycobacterium tuberculosis Trehalose synthase TreS 0.0144 0.4649 0.5
Schistosoma mansoni hypothetical protein 0.0188 0.6962 0.4322
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0226 0.8927 0.8927
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0144 0.4649 0.5
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0144 0.4649 0.4649
Echinococcus multilocularis geminin 0.0188 0.6962 0.4322
Loa Loa (eye worm) hypothetical protein 0.0226 0.8927 0.8927
Loa Loa (eye worm) alpha amylase 0.0144 0.4649 0.4649
Schistosoma mansoni hypothetical protein 0.0188 0.6962 0.4322
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0188 0.6943 0.4287

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 nM Apparent inhibition of rat FAAH using AMCAA as substrate after 30 mins by fluorescence assay ChEMBL. 24440478
IC50 (binding) = 28 nM Apparent inhibition of human FAAH expressed in CHOK1 cells using AMCAA as substrate after 30 mins by fluorescence assay ChEMBL. 24440478

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.

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