Detailed information for compound 1723572

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.821 | Formula: C18H18ClN5O
  • H donors: 0 H acceptors: 3 LogP: 2.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)CN1CCN(CC1)C(=O)n1nnc2c1cccc2
  • InChi: 1S/C18H18ClN5O/c19-15-5-3-4-14(12-15)13-22-8-10-23(11-9-22)18(25)24-17-7-2-1-6-16(17)20-21-24/h1-7,12H,8-11,13H2
  • InChiKey: QQCWAELFGXREHO-UHFFFAOYSA-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
Homo sapiens monoglyceride lipase 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
Trypanosoma brucei gambiense 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
Leishmania braziliensis monoglyceride lipase, putative 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
Mycobacterium ulcerans 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
Plasmodium falciparum lysophospholipase, 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 Clan SC, family S33, methylesterase-like serine peptidase 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
Trypanosoma brucei 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
Leishmania infantum monoglyceride lipase, putative 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
Echinococcus multilocularis fatty acid amide hydrolase 1 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
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
Schistosoma mansoni amidase 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative Get druggable targets OG5_127783 All targets in OG5_127783
Plasmodium falciparum esterase, 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans hypothetical protein 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
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
Trichomonas vaginalis conserved hypothetical protein 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 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
Candida albicans hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 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
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
Trypanosoma congolense monoglyceride lipase, putative 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
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
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
Leishmania mexicana 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
Brugia malayi amidase 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
Mycobacterium tuberculosis 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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major hypothetical protein, conserved fatty acid amide hydrolase 579 aa 471 aa 26.5 %
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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0503 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.0503 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Echinococcus granulosus metabotropic glutamate receptor 2 0.0668 0.668 0.666
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.0503 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0722 0.7256 0.9007
Schistosoma mansoni tyrosine kinase 0.0075 0.0404 0.0333
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0129 0.098 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0906 0.9206 1
Echinococcus granulosus nmda type glutamate receptor 0.0075 0.0404 0.0347
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0404 0.0404
Schistosoma mansoni metabotropic glutamate receptor 0.0668 0.668 0.7226
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0404 0.0347
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0503 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.0914 0.0894
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Schistosoma mansoni protein kinase 0.0075 0.0404 0.0333
Mycobacterium ulcerans hypothetical protein 0.0084 0.0503 0.5
Plasmodium falciparum lysophospholipase, putative 0.0084 0.0503 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.0204 0.1774 0.2146
Brugia malayi Guanylyl cyclase protein 23 0.0075 0.0404 0.0432
Echinococcus granulosus glutamate receptor 2 0.0075 0.0404 0.0347
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.0503 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0404 0.0404
Schistosoma mansoni amidase 0.0123 0.0914 0.0894
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.0075 0.0404 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0503 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.0503 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0404 0.0347
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0404 0.0347
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0404 0.0347
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0075 0.0404 0.0347
Loa Loa (eye worm) RGC/RGC protein kinase 0.0075 0.0404 0.0404
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0404 0.0347
Echinococcus granulosus GPCR family 3 C terminal 0.0129 0.098 0.0927
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0075 0.0404 0.0347
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0075 0.0404 0.0432
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0503 1
Echinococcus granulosus glutamate receptor 2 0.0075 0.0404 0.0347
Loa Loa (eye worm) hypothetical protein 0.0129 0.098 0.098
Schistosoma mansoni tyrosine kinase 0.0075 0.0404 0.0333
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0668 0.668 0.666
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0914 0.086
Loa Loa (eye worm) hypothetical protein 0.0123 0.0914 0.0914
Mycobacterium ulcerans lysophospholipase 0.0084 0.0503 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0075 0.0404 0.0333
Plasmodium falciparum lysophospholipase, putative 0.0084 0.0503 0.5
Plasmodium falciparum lysophospholipase, putative 0.0084 0.0503 0.5
Echinococcus multilocularis glutamate receptor 2 0.0075 0.0404 0.0347
Loa Loa (eye worm) hypothetical protein 0.0204 0.1774 0.1774
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0129 0.098 0.1153
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0503 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0042 0.0059 0.0059
Brugia malayi amidase 0.0123 0.0914 0.107
Echinococcus granulosus receptor type guanylyl cyclase 0.0075 0.0404 0.0347
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0204 0.1774 0.1774
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.0503 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0075 0.0404 0.0347
Echinococcus multilocularis nmda type glutamate receptor 0.0075 0.0404 0.0347
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.0503 0.5
Loa Loa (eye worm) glutamate receptor 0.0797 0.805 0.805
Leishmania major monoglyceride lipase, putative 0.0084 0.0503 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.0503 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0204 0.1774 0.1774
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0914 0.086
Schistosoma mansoni metabotropic glutamate receptor 0.0388 0.3724 0.3979
Echinococcus multilocularis receptor type guanylyl cyclase 0.0075 0.0404 0.0347
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.0503 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.0503 1
Echinococcus multilocularis tyrosine kinase 0.0075 0.0404 0.0347
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0075 0.0404 0.0347
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0075 0.0404 0.0347
Brugia malayi Receptor family ligand binding region containing protein 0.0075 0.0404 0.0432
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.0914 0.086
Schistosoma mansoni hypothetical protein 0.0129 0.098 0.0966
Echinococcus granulosus atrial natriuretic peptide receptor 0.0075 0.0404 0.0347
Brugia malayi hypothetical protein 0.0075 0.0404 0.0432
Onchocerca volvulus Poor gastrulation protein homolog 0.0129 0.098 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.0914 0.086
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.0503 0.5
Plasmodium vivax PST-A protein 0.0084 0.0503 0.5
Loa Loa (eye worm) glutamate receptor 0.0314 0.2931 0.2931
Brugia malayi metabotropic glutamate receptor type 2 0.0388 0.3724 0.4586
Echinococcus multilocularis GPCR, family 3, C terminal 0.0129 0.098 0.0927
Plasmodium falciparum esterase, putative 0.0084 0.0503 0.5
Echinococcus granulosus tyrosine kinase 0.0075 0.0404 0.0347
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404
Brugia malayi Metabotropic glutamate receptor precursor. 0.0797 0.805 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0404 0.0404

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2 nM Inhibition of human MAGL assessed as [3H]-2-OG hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting ChEMBL. 23036333
IC50 (binding) = 9 nM Inhibition of human recombinant FAAH assessed as [3H]-AEA hydrolysis preincubated for 30 mins before [3H]-2-OG addition measured after 10 mins by liquid scintillation counting ChEMBL. 23036333

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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