Detailed information for compound 1832962

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 503.98 | Formula: C27H26ClN5O3
  • H donors: 1 H acceptors: 3 LogP: 4.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)Oc1cccc(c1)CN1CCC2(CC1)CN(C2)C(=O)Nc1noc2c1nccc2
  • InChi: 1S/C27H26ClN5O3/c28-20-6-8-21(9-7-20)35-22-4-1-3-19(15-22)16-32-13-10-27(11-14-32)17-33(18-27)26(34)30-25-24-23(36-31-25)5-2-12-29-24/h1-9,12,15H,10-11,13-14,16-18H2,(H,30,31,34)
  • InChiKey: OFQOJSMWHIRKHR-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
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
Echinococcus multilocularis 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
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 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
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 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
Echinococcus multilocularis 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
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

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 %
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
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 %
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
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.045 0.2824 0.2824
Mycobacterium ulcerans hypothetical protein 0.045 0.2824 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.045 0.2824 0.2824
Brugia malayi leucyl aminopeptidase 0.045 0.2824 0.2824
Brugia malayi nicalin 0.045 0.2824 0.2824
Mycobacterium tuberculosis Conserved protein 0.045 0.2824 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.045 0.2824 0.2824
Loa Loa (eye worm) hypothetical protein 0.045 0.2824 0.2824
Toxoplasma gondii peptidase, M28 family protein 0.045 0.2824 0.5
Leishmania major glutaminyl cyclase, putative 0.045 0.2824 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.2824 0.2824
Trichomonas vaginalis conserved hypothetical protein 0.045 0.2824 0.5
Brugia malayi FXNA 0.045 0.2824 0.2824
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.045 0.2824 0.5
Leishmania major hypothetical protein, conserved 0.045 0.2824 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.045 0.2824 0.5
Trypanosoma brucei glutaminyl cyclase, putative 0.045 0.2824 0.5
Loa Loa (eye worm) hypothetical protein 0.045 0.2824 0.2824
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.045 0.2824 0.2824
Trichomonas vaginalis conserved hypothetical protein 0.045 0.2824 0.5
Schistosoma mansoni Fxna peptidase (M28 family) 0.045 0.2824 0.2824
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.045 0.2824 0.2824
Trichomonas vaginalis conserved hypothetical protein 0.045 0.2824 0.5
Schistosoma mansoni nicalin (M28 family) 0.045 0.2824 0.2824
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.045 0.2824 0.2824
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.045 0.2824 0.2824
Loa Loa (eye worm) hypothetical protein 0.045 0.2824 0.2824
Toxoplasma gondii hypothetical protein 0.045 0.2824 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.045 0.2824 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.045 0.2824 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.045 0.2824 0.5
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.045 0.2824 0.2824

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 20 nM Inhibition of rat FAAH after 60 mins ChEMBL. 24433863
IC50 (binding) = 177 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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