Detailed information for compound 1822899

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.46 | Formula: C21H29NO3
  • H donors: 1 H acceptors: 3 LogP: 4.91 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCCCc1cnc(o1)C(=O)CCCCCCc1ccccc1
  • InChi: 1S/C21H29NO3/c23-16-10-4-8-14-19-17-22-21(25-19)20(24)15-9-2-1-5-11-18-12-6-3-7-13-18/h3,6-7,12-13,17,23H,1-2,4-5,8-11,14-16H2
  • InChiKey: KTNMQSKDYKGHIF-UHFFFAOYSA-N  


Substructure search Similarity search

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans hypothetical protein 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
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
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 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
Brugia malayi amidase 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
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
Loa Loa (eye worm) 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 fatty-acid amide hydrolase 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 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
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 %
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Schistosoma mansoni thyroid hormone receptor 0.1152 1 1
Brugia malayi Steroid receptor seven-up type 2 0.1152 1 1
Brugia malayi nuclear receptor NHR-67 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.1152 1 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.1152 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.1152 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0543 0.4085 0.4085
Brugia malayi nuclear hormone receptor 0.1152 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1152 1 1
Loa Loa (eye worm) steroid hormone receptor 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1152 1 1
Brugia malayi tailless protein 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0608 0.4718 0.4718
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Onchocerca volvulus Bile acid receptor homolog 0.1152 1 1
Schistosoma mansoni thyroid hormone receptor 0.1152 1 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.1152 1 1
Onchocerca volvulus 0.1152 1 1
Brugia malayi hypothetical protein 0.0543 0.4085 0.4085
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1152 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.1152 1 1
Brugia malayi Nuclear hormone receptor E75 0.0543 0.4085 0.4085
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.1152 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Echinococcus granulosus ecdysone induced protein 78C 0.1152 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0543 0.4085 0.4085
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.1152 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Onchocerca volvulus Protein ultraspiracle homolog 0.1152 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Echinococcus multilocularis FTZ F1 alpha 0.1152 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.1152 1 1
Brugia malayi nuclear receptor NHR-88 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear receptor 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear receptor 0.0543 0.4085 0.4085
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0608 0.4718 0.4718
Echinococcus granulosus nuclear receptor 2DBD gamma 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0543 0.4085 0.4085
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0608 0.4718 0.4718
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0543 0.4085 0.4085
Brugia malayi hypothetical protein 0.0608 0.4718 0.4718
Brugia malayi Nuclear hormone receptor-like 1 0.1152 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0608 0.4718 0.4718
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.1152 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.1152 1 1
Brugia malayi nuclear receptor NHR-88 0.1152 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear hormone receptor 0.1152 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.1152 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.1152 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.1152 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-40 0.1152 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0608 0.4718 0.4718
Brugia malayi nuclear hormone receptor family member nhr-6 0.0543 0.4085 0.4085
Echinococcus multilocularis ecdysone induced protein 78C 0.1152 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.1152 1 1
Schistosoma mansoni zinc finger protein 0.0543 0.4085 0.4085
Loa Loa (eye worm) DR-78 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1152 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.1152 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.1152 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0608 0.4718 0.4718
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0543 0.4085 0.4085
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0543 0.4085 0.4085
Echinococcus granulosus retinoic acid receptor rxr beta a 0.1152 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0543 0.4085 0.4085
Brugia malayi nuclear hormone receptor 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor E75 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Brugia malayi nuclear hormone receptor family member odr-7 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.1152 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0543 0.4085 0.4085
Brugia malayi ecdysone receptor 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.0608 0.4718 0.4718
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0543 0.4085 0.4085
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Brugia malayi hypothetical protein 0.0608 0.4718 0.4718
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0543 0.4085 0.4085
Schistosoma mansoni coup transcription factor 0.1152 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.1152 1 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.1152 1 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-3 0.1152 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0608 0.4718 0.4718
Brugia malayi steroid hormone receptor 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.1152 1 1
Brugia malayi hypothetical protein 0.0543 0.4085 0.4085
Schistosoma mansoni nuclear hormone receptor 0.0543 0.4085 0.4085
Echinococcus granulosus FTZ F1 alpha 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-1 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0543 0.4085 0.4085
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-25 0.1152 1 1
Schistosoma mansoni nuclear hormone receptor 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-31 0.1152 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor-like 1 0.0608 0.4718 0.4718
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0608 0.4718 0.4718
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.1152 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.1152 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0608 0.4718 0.4718
Schistosoma mansoni nuclear receptor nhr-48 0.0543 0.4085 0.4085
Brugia malayi nuclear receptor RXR 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-19 0.1152 1 1
Brugia malayi nuclear receptor RXR 0.0608 0.4718 0.4718
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.1152 1 1
Echinococcus granulosus nuclear receptor nhr 48 0.0543 0.4085 0.4085
Brugia malayi Nuclear hormone receptor family member nhr-41 0.1152 1 1
Loa Loa (eye worm) hypothetical protein 0.0608 0.4718 0.4718
Echinococcus granulosus thyroid hormone receptor alpha 0.0543 0.4085 0.4085
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.1152 1 1
Brugia malayi conserved hypotetical protein 0.0543 0.4085 0.4085

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 10.1 nM Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide by Dixon plot analysis ChEMBL. 24456116

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

No literature references available for this target.

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