Detailed information for compound 956762

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.407 | Formula: C16H25O3PS
  • H donors: 0 H acceptors: 1 LogP: 5.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCCCSP1(=O)OCc2c(O1)cccc2
  • InChi: 1S/C16H25O3PS/c1-2-3-4-5-6-7-10-13-21-20(17)18-14-15-11-8-9-12-16(15)19-20/h8-9,11-12H,2-7,10,13-14H2,1H3
  • InChiKey: ATRXVHSTLIICQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus monoglyceride lipase Starlite/ChEMBL References
Mus musculus fatty acid amide hydrolase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum esterase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania mexicana monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
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 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
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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 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 falciparum lysophospholipase, 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 Clan SC, family S33, methylesterase-like serine peptidase 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 brucei gambiense monoglyceride lipase, putative 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 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
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
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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Plasmodium falciparum lysophospholipase, 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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
Mycobacterium tuberculosis Possible lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 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
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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Leishmania major 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
Trypanosoma congolense 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
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
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
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
Trichomonas vaginalis valacyclovir hydrolase, 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 vivax hypothetical protein, conserved monoglyceride lipase 258 aa 241 aa 22.0 %
Trypanosoma cruzi amidase, putative fatty acid amide hydrolase 579 aa 467 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.6656 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0015 0.0685 0.1029
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0015 0.0685 0.1029
Plasmodium vivax PST-A protein 0.0084 0.6656 1
Leishmania major monoglyceride lipase, putative 0.0084 0.6656 1
Trichomonas vaginalis protein disulfide isomerase, putative 0.0008 0.0087 0.0001
Leishmania major hypothetical protein, conserved 0.0015 0.0685 0.1029
Plasmodium falciparum lysophospholipase, putative 0.0084 0.6656 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.6656 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0015 0.0685 0.1029
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0015 0.0685 0.0685
Mycobacterium ulcerans lysophospholipase 0.0084 0.6656 1
Brugia malayi probable protein disulfide-isomerase 0.0008 0.0087 0.0087
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0015 0.0685 0.1029
Mycobacterium ulcerans hypothetical protein 0.0084 0.6656 1
Mycobacterium ulcerans amidase 0.0015 0.0685 0.1029
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0015 0.0685 0.0685
Brugia malayi Amidase family protein 0.0015 0.0685 0.0685
Brugia malayi putative amidase 0.0015 0.0685 0.0685
Schistosoma mansoni protein disulfide-isomerase er-60 precursor (erp60) 0.0008 0.0087 0.0087
Trypanosoma cruzi amidase, putative 0.0015 0.0685 0.1029
Leishmania major protein disulfide isomerase 0.0008 0.0087 0.0131
Brugia malayi protein disulphide isomerase 0.0008 0.0087 0.0087
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0015 0.0685 0.091
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.6656 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0015 0.0685 0.0685
Schistosoma mansoni Probable protein disulfide-isomerase ER-60 precursor (ERP60) 0.0008 0.0087 0.0087
Loa Loa (eye worm) amidase 0.0015 0.0685 0.0685
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0685 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Loa Loa (eye worm) Pdia4 protein 0.0008 0.0087 0.0087
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.6656 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.6656 1
Mycobacterium ulcerans amidase 0.0015 0.0685 0.1029
Toxoplasma gondii protein disulfide isomerase 0.0008 0.0087 1
Trichomonas vaginalis protein disulfide isomerase, putative 0.0008 0.0087 0.0001
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.6656 1
Trypanosoma brucei protein disulfide isomerase 0.0008 0.0087 0.0131
Plasmodium falciparum lysophospholipase, putative 0.0084 0.6656 1
Plasmodium falciparum esterase, putative 0.0084 0.6656 1
Brugia malayi transglutaminase 0.0008 0.0087 0.0087
Mycobacterium ulcerans amidase 0.0015 0.0685 0.1029
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0015 0.0685 0.1029
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0685 0.091
Giardia lamblia Protein disulfide isomerase PDI2 0.0008 0.0087 0.5
Echinococcus multilocularis protein disulfide isomerase A3 0.0008 0.0087 0.0087
Echinococcus multilocularis protein disulfide isomerase 0.0008 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Brugia malayi Amidase family protein 0.0015 0.0685 0.0685
Loa Loa (eye worm) protein disulfide isomerase 0.0008 0.0087 0.0087
Mycobacterium ulcerans amidase 0.0015 0.0685 0.1029
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.6656 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0015 0.0685 0.1029
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.6656 1
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0685 0.0685
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0685 0.5
Trypanosoma cruzi bloodstream- specific protein 2 precursor 0.0008 0.0087 0.0131
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.6656 1
Trichomonas vaginalis protein disulfide isomerase, putative 0.0008 0.0087 0.0001
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.6656 1
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0015 0.0685 0.1029
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.6656 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 1 1
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0015 0.0685 0.1029
Schistosoma mansoni fatty-acid amide hydrolase 0.0015 0.0685 0.0685
Mycobacterium ulcerans amidase 0.0015 0.0685 0.1029
Echinococcus granulosus protein disulfide isomerase A3 0.0008 0.0087 0.0087
Loa Loa (eye worm) amidase 0.0015 0.0685 0.0685
Plasmodium falciparum lysophospholipase, putative 0.0084 0.6656 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0685 0.1029
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0015 0.0685 0.0685
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0.0685 0.1029
Trypanosoma cruzi amidase, putative 0.0015 0.0685 0.1029
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.6656 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0044 0.3194 0.3194
Schistosoma mansoni amidase 0.0123 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.6656 1
Schistosoma mansoni protein disulfide-isomerase 0.0008 0.0087 0.0087
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.6656 1
Brugia malayi Cytochrome P450 family protein 0.0044 0.3194 0.3194
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0685 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.6656 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0008 0.0008
Loa Loa (eye worm) transglutaminase 0.0008 0.0087 0.0087
Echinococcus granulosus protein disulfide isomerase 0.0008 0.0087 0.0087

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.15 nM Inhibition of FAAH-mediated [3H]anandamide hydrolysis in mouse brain ChEMBL. 18752948
IC50 (binding) = 0.31 nM Inhibition of MAGL-mediated 2-arachidonoylglycerol hydrolysis in mouse brain ChEMBL. 18752948

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.

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