Detailed information for compound 1711276

Basic information

Technical information
  • TDR Targets ID: 1711276
  • Name: 1-morpholin-4-yl-2-(4-phenylphenyl)ethanethio ne
  • MW: 297.415 | Formula: C18H19NOS
  • H donors: 0 H acceptors: 0 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(N1CCOCC1)Cc1ccc(cc1)c1ccccc1
  • InChi: 1S/C18H19NOS/c21-18(19-10-12-20-13-11-19)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9H,10-14H2
  • InChiKey: JTXKUELKOQEINN-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-morpholino-2-(4-phenylphenyl)ethanethione
  • 5428-57-9
  • SMR000475643
  • 4-(2-[1,1'-biphenyl]-4-ylethanethioyl)morpholine
  • MLS001181059
  • NSC53546
  • NSC13271
  • AA-516/31409004
  • Oprea1_301720

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens monoglyceride lipase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania donovani monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania braziliensis monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania infantum monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma cruzi monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum esterase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis valacyclovir hydrolase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania major monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania mexicana monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium vivax PST-A protein Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium tuberculosis Possible lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum esterase, putative monoglyceride lipase 303 aa 254 aa 19.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 1 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.4421 1
Plasmodium falciparum lysophospholipase, putative 0.0084 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.4421 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 1 0.5
Mycobacterium ulcerans hypothetical protein 0.0084 1 0.5
Leishmania major monoglyceride lipase, putative 0.0084 1 0.5
Mycobacterium ulcerans lysophospholipase 0.0084 1 0.5
Plasmodium falciparum esterase, putative 0.0084 1 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 1 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 1 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.4421 1
Plasmodium vivax PST-A protein 0.0084 1 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.4421 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 0.5
Schistosoma mansoni hypothetical protein 0.0041 0 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0084 1 0.5
Plasmodium falciparum lysophospholipase, putative 0.0084 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0084 1 0.5
Plasmodium falciparum lysophospholipase, putative 0.0084 1 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0084 1 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.51 Inhibition of Homo sapiens (human) recombinant fatty acid amide hydrolase assessed as inhibition of [3H]-AEA hydrolysis after 10 min by liquid scintillation counting ChEMBL. No reference
IC50 (binding) = 5.24 Inhibition of Homo sapiens (human) recombinant monoacylglycerol lipase assessed as inhibition of [3H]-2-oleolylglycerol hydrolysis after 10 min by liquid scintillation counting ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference

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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