Detailed information for compound 518266

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.851 | Formula: C19H23ClN2O2
  • H donors: 0 H acceptors: 2 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CN1CCC(CC1)CCCC(=O)c1ncco1
  • InChi: 1S/C19H23ClN2O2/c20-17-6-2-1-5-16(17)14-22-11-8-15(9-12-22)4-3-7-18(23)19-21-10-13-24-19/h1-2,5-6,10,13,15H,3-4,7-9,11-12,14H2
  • InChiKey: PXTBLPNVMXRNGZ-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
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase 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
Echinococcus multilocularis fatty acid amide hydrolase 1 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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
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
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
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
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus geminin 0.0181 0.6699 0.6699
Brugia malayi isocitrate dehydrogenase 0.0017 0.0082 0.0082
Schistosoma mansoni hypothetical protein 0.0075 0.2433 0.3036
Entamoeba histolytica hypothetical protein 0.0075 0.2433 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Brugia malayi amidase 0.0123 0.4366 0.4366
Schistosoma mansoni hypothetical protein 0.0181 0.6699 0.8358
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0487 1
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0 0.5
Mycobacterium ulcerans amidase 0.0015 0 0.5
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0082 0.1675
Entamoeba histolytica hypothetical protein 0.0075 0.2433 0.5
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0082 0.0082
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0263 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0487 1
Mycobacterium ulcerans amidase 0.0015 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0082 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0487 1
Leishmania major hypothetical protein, conserved 0.0027 0.0487 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4366 0.4366
Loa Loa (eye worm) hypothetical protein 0.0123 0.4366 0.4471
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.2433 0.2433
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0015 0 0.5
Brugia malayi hypothetical protein 0.0206 0.7724 0.7724
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0082 0.0082
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4366 0.4366
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4366 0.4366
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0082 0.0082
Mycobacterium ulcerans amidase 0.0015 0 0.5
Schistosoma mansoni hypothetical protein 0.0181 0.6699 0.8358
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0082 0.1675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0082 0.0082
Brugia malayi hypothetical protein 0.0027 0.0487 0.0487
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0082 0.0082
Onchocerca volvulus 0.0257 0.9766 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.2433 0.2433
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0082 0.0083
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0082 0.1675
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.4543 0.4651
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0082 0.1675
Loa Loa (eye worm) pax transcription factor protein 2 0.0257 0.9766 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4366 0.4366
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0082 0.1675
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.2433 0.3036
Schistosoma mansoni jun-related protein 0.0214 0.8014 1
Brugia malayi MH2 domain containing protein 0.0127 0.4543 0.4543
Schistosoma mansoni amidase 0.0123 0.4366 0.5448
Mycobacterium ulcerans amidase 0.0015 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0487 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0082 0.0082
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0082 0.0082
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.2433 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.4366 0.5448
Brugia malayi hypothetical protein 0.0075 0.2433 0.2433
Echinococcus multilocularis jun protein 0.0263 1 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0015 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0487 1
Brugia malayi Pax transcription factor protein 2 0.0257 0.9766 0.9766
Loa Loa (eye worm) hypothetical protein 0.0027 0.0487 0.0498
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0487 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0487 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0082 0.0102
Schistosoma mansoni hypothetical protein 0.0214 0.8014 1
Echinococcus multilocularis geminin 0.0181 0.6699 0.6699
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0082 0.1675
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.4543 0.4651
Entamoeba histolytica hypothetical protein 0.0075 0.2433 0.5
Echinococcus granulosus jun protein 0.0263 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0082 0.1675
Loa Loa (eye worm) hypothetical protein 0.0256 0.9709 0.9942
Brugia malayi hypothetical protein 0.0017 0.0102 0.0102
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0263 1 1
Mycobacterium ulcerans amidase 0.0015 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 260 nM Inhibition of human FAAH ChEMBL. 18289847
IC50 (binding) = 260 nM Inhibition of human FAAH ChEMBL. 18289847

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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