Detailed information for compound 516550

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 425.607 | Formula: C26H39N3O2
  • H donors: 0 H acceptors: 4 LogP: 7.99 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCC/C=C\CCCCCCC(=O)c1ncc(o1)c1cccnn1
  • InChi: 1S/C26H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24(30)26-27-22-25(31-26)23-19-18-21-28-29-23/h11-12,18-19,21-22H,2-10,13-17,20H2,1H3/b12-11-
  • InChiKey: NYVMPQFQHKYLNX-QXMHVHEDSA-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
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
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 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
Loa Loa (eye worm) hypothetical protein 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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 granulosus 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Giardia lamblia ABC transporter, putative 0.0017 0.0343 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0017 0.0343 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0015 0.016 0.5
Brugia malayi ABC transporter transmembrane region family protein 0.0017 0.0343 0.0186
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.016 0.5
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0017 0.0343 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0343 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.7925 0.7925
Leishmania major pentamidine resistance protein 1 0.0017 0.0343 1
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0015 0.016 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1
Entamoeba histolytica multidrug resistance protein, putative 0.0017 0.0343 0.5
Loa Loa (eye worm) amidase 0.0015 0.016 0.016
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0017 0.0343 1
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0015 0.016 0.5
Mycobacterium ulcerans amidase 0.0015 0.016 0.5
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0015 0.016 0.5
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0015 0.016 0.5
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0343 0.5
Echinococcus granulosus multidrug resistance associated protein 1 0.0017 0.0343 0.0186
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0017 0.0343 0.0343
Loa Loa (eye worm) amidase 0.0015 0.016 0.016
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.01 0.7925 0.7925
Schistosoma mansoni multidrug resistance protein 0.0017 0.0343 0.0186
Schistosoma mansoni amidase 0.0123 1 1
Trypanosoma brucei p-glycoprotein 0.0017 0.0343 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0015 0.016 0.5
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0343 1
Trypanosoma brucei multidrug resistance protein E 0.0017 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0343 0.0343
Echinococcus multilocularis multidrug resistance associated protein 7 0.0017 0.0343 0.0186
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.016 0.5
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0.016 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0017 0.0343 1
Leishmania major ABC-thiol transporter 0.0017 0.0343 1
Entamoeba histolytica ABC transporter, putative 0.0017 0.0343 0.5
Schistosoma mansoni multidrug resistance protein 0.0017 0.0343 0.0186
Giardia lamblia Multidrug resistance-associated protein 1 0.0017 0.0343 1
Toxoplasma gondii hypothetical protein 0.01 0.7925 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0343 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0343 0.0343
Echinococcus multilocularis multidrug resistance associated protein 1 0.0017 0.0343 0.0186
Brugia malayi multidrug resistance related protein 1 0.0017 0.0343 0.0186
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0015 0.016 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0017 0.0343 1
Schistosoma mansoni multidrug resistance protein 0.0017 0.0343 0.0186
Mycobacterium ulcerans amidase 0.0015 0.016 0.5
Mycobacterium ulcerans amidase 0.0015 0.016 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Mycobacterium ulcerans amidase 0.0015 0.016 0.5
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Mycobacterium ulcerans amidase 0.0015 0.016 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.7925 0.7925
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0015 0.016 0.5
Entamoeba histolytica hypothetical protein 0.0017 0.0343 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.7925 0.7925
Schistosoma mansoni multidrug resistance protein 0.0017 0.0343 0.0186
Giardia lamblia MRP-like ABC transporter 0.0017 0.0343 1
Entamoeba histolytica ATP-binding cassette protein, putative 0.0017 0.0343 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0017 0.0343 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0017 0.0343 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.016 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0017 0.0343 1
Echinococcus granulosus multidrug resistance associated protein 7 0.0017 0.0343 0.0186
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.016 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.016 0.5
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0017 0.0343 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0331 0.0331
Leishmania major p-glycoprotein e 0.0017 0.0343 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 14 nM Inhibition of rat FAAH ChEMBL. 18053726
Ki (binding) = 14 nM Inhibition of rat FAAH ChEMBL. 18053726

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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