Detailed information for compound 871461

Basic information

Technical information
  • TDR Targets ID: 871461
  • Name: morpholin-4-yl-(3-nitrophenyl)methanethione
  • MW: 252.29 | Formula: C11H12N2O3S
  • H donors: 0 H acceptors: 2 LogP: 1.44 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(c1cccc(c1)[N+](=O)[O-])N1CCOCC1
  • InChi: 1S/C11H12N2O3S/c14-13(15)10-3-1-2-9(8-10)11(17)12-4-6-16-7-5-12/h1-3,8H,4-7H2
  • InChiKey: XAFOXMYZPFBAJQ-UHFFFAOYSA-N  

Network

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Synonyms

  • morpholino-(3-nitrophenyl)methanethione
  • BIM-0004208.P001
  • CBMicro_004215
  • ZINC00193193
  • STK221289
  • 4-(3-Nitrobenzothioyl)morpholine
  • N-(3-Nitro-thiobenzoyl)-morpholine
  • BAS 00602248
  • Morpholin-4-yl-(3-nitro-phenyl)-methanethione
  • Oprea1_187269

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Leishmania infantum 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
Trypanosoma cruzi monoglyceride lipase, putative 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 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
Trypanosoma brucei 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 gambiense 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
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans lysophospholipase 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
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
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
Plasmodium falciparum lysophospholipase, 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans hypothetical 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 tuberculosis Possible lysophospholipase 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
Leishmania major monoglyceride lipase, 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 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
Plasmodium falciparum esterase, putative 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
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
Echinococcus multilocularis dna polymerase eta 0.0044 0.4103 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.4103 1
Leishmania major hypothetical protein, conserved 0.0025 0.1286 0.0889
Trichomonas vaginalis conserved hypothetical protein 0.0084 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1286 0.0889
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 1
Plasmodium vivax PST-A protein 0.0084 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 1 1
Plasmodium falciparum lysophospholipase, putative 0.0084 1 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.2187 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.4103 0.3834
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 1 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.4103 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 1 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 1
Brugia malayi hypothetical protein 0.0025 0.1286 0.3135
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1286 0.0889
Plasmodium falciparum esterase, putative 0.0084 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.1286 0.2319
Mycobacterium ulcerans lysophospholipase 0.0084 1 1
Leishmania major monoglyceride lipase, putative 0.0084 1 1
Giardia lamblia DINP protein human, muc B family 0.0019 0.0436 0.5
Plasmodium falciparum lysophospholipase, putative 0.0084 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1286 0.0889
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0436 0.1062
Leishmania major DNA polymerase eta, putative 0.0044 0.4103 0.3834
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 1
Schistosoma mansoni DNA polymerase eta 0.0044 0.4103 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.2187 0.1831
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.4103 0.3834
Mycobacterium ulcerans hypothetical protein 0.0084 1 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 1 1
Echinococcus granulosus dna polymerase eta 0.0044 0.4103 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 1 1
Plasmodium falciparum lysophospholipase, putative 0.0084 1 1
Leishmania major DNA polymerase eta, putative 0.0031 0.2187 0.1831
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.61 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) = 5.02 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.