Detailed information for compound 1831758

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 476.998 | Formula: C27H29ClN4O2
  • H donors: 1 H acceptors: 2 LogP: 4.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Oc1cccc(c1)CN1CCCC21CCN(CC2)C(=O)Nc1cccnc1
  • InChi: 1S/C27H29ClN4O2/c28-22-7-9-24(10-8-22)34-25-6-1-4-21(18-25)20-32-15-3-11-27(32)12-16-31(17-13-27)26(33)30-23-5-2-14-29-19-23/h1-2,4-10,14,18-19H,3,11-13,15-17,20H2,(H,30,33)
  • InChiKey: MSGFJDOSVFVCSI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
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 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
Echinococcus multilocularis 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
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
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative 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
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
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
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 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 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
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 %
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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0219 0.7913 0.7913
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0219 0.7913 0.7913
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0219 0.7913 0.7913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0219 0.7913 0.7913
Echinococcus granulosus ecdysone induced protein 78C 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0219 0.7913 0.7913
Brugia malayi nuclear hormone receptor 0.0219 0.7913 0.7913
Brugia malayi steroid hormone receptor 0.0219 0.7913 0.7913
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0219 0.7913 0.7913
Echinococcus multilocularis FTZ F1 alpha 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0219 0.7913 0.7913
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0219 0.7913 0.7913
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0219 0.7913 0.7913
Echinococcus multilocularis thyroid hormone receptor alpha 0.0219 0.7913 0.7913
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0219 0.7913 0.7913
Echinococcus granulosus FTZ F1 alpha 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0219 0.7913 0.7913
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Brugia malayi nuclear receptor NHR-88 0.0219 0.7913 0.7913
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor-like 1 0.0219 0.7913 0.7913
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0219 0.7913 0.7913
Echinococcus multilocularis ecdysone induced protein 78C 0.0219 0.7913 0.7913
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0219 0.7913 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0219 0.7913 0.7913
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0219 0.7913 0.7913
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0219 0.7913 0.7913
Schistosoma mansoni nuclear hormone receptor 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0219 0.7913 0.7913
Brugia malayi Steroid receptor seven-up type 2 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0219 0.7913 0.7913
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0219 0.7913 0.7913
Onchocerca volvulus Protein ultraspiracle homolog 0.0219 0.7913 0.5
Schistosoma mansoni thyroid hormone receptor 0.0219 0.7913 0.7913
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0219 0.7913 0.7913
Loa Loa (eye worm) hypothetical protein 0.0219 0.7913 0.7913
Schistosoma mansoni retinoic acid receptor RXR 0.0219 0.7913 0.7913
Onchocerca volvulus 0.0219 0.7913 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0219 0.7913 0.7913
Onchocerca volvulus Bile acid receptor homolog 0.0219 0.7913 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0219 0.7913 0.7913
Brugia malayi ecdysteroid receptor 0.0219 0.7913 0.7913
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0219 0.7913 0.7913
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0219 0.7913 0.7913
Schistosoma mansoni steroid hormone receptor ad4bp 0.0219 0.7913 0.7913
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0219 0.7913 0.7913
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0219 0.7913 0.7913
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0219 0.7913 0.7913
Schistosoma mansoni coup transcription factor 0.0219 0.7913 0.7913
Brugia malayi photoreceptor-specific nuclear receptor 0.0219 0.7913 0.7913
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0219 0.7913 0.7913
Schistosoma mansoni RAR-like nuclear receptor 0.0219 0.7913 0.7913
Schistosoma mansoni thyroid hormone receptor 0.0219 0.7913 0.7913
Loa Loa (eye worm) steroid hormone receptor 0.0219 0.7913 0.7913

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 710 nM Inhibition of rat FAAH after 60 mins ChEMBL. 24433863
IC50 (binding) = 1300 nM Inhibition of human FAAH after 60 mins ChEMBL. 24433863

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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