Detailed information for compound 1761518

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.349 | Formula: C17H17N5O2
  • H donors: 1 H acceptors: 5 LogP: 3.24 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1cccc(c1)c1ccc(cc1)Cc1nnn(n1)C(=O)N(C)C
  • InChi: 1S/C17H17N5O2/c1-21(2)17(24)22-19-16(18-20-22)10-12-6-8-13(9-7-12)14-4-3-5-15(23)11-14/h3-9,11,23H,10H2,1-2H3
  • InChiKey: ZPTHUPLXPPZCEV-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
Homo sapiens monoglyceride lipase Starlite/ChEMBL References
Rattus norvegicus Anandamide amidohydrolase 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 lysophospholipase, 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
Leishmania mexicana 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
Schistosoma japonicum Fatty-acid amide hydrolase 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
Mycobacterium ulcerans lysophospholipase 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
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
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 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
Leishmania infantum 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
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 hypothetical protein 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
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 esterase, 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
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Mycobacterium tuberculosis Possible 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
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
Schistosoma mansoni fatty-acid amide hydrolase 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
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 Clan SC, family S33, methylesterase-like serine peptidase 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 amidase 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 valacyclovir hydrolase, 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Plasmodium falciparum esterase, putative monoglyceride lipase 303 aa 254 aa 19.7 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Echinococcus granulosus Protein kinase C brain isozyme 0.0084 0.2915 0.4461
Plasmodium falciparum esterase, putative 0.0084 0.2926 0.4686
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0084 0.2915 0.4461
Echinococcus granulosus serine threonine protein kinase nrc 0.0163 0.6243 0.9554
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Entamoeba histolytica protein kinase, putative 0.0245 0.9709 0.9589
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2926 0.0121
Loa Loa (eye worm) hypothetical protein 0.0084 0.2915 0.2915
Echinococcus granulosus serine:threonine protein kinase N2 0.0084 0.2915 0.4461
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Brugia malayi Protein kinase domain containing protein 0.0084 0.2915 0.2915
Echinococcus multilocularis nervana 2 0.0161 0.6167 0.9437
Trypanosoma cruzi rac serine-threonine kinase, putative 0.017 0.6535 1
Schistosoma mansoni atypical protein kinase C 0.0084 0.2915 0.4461
Echinococcus multilocularis protein kinase c iota type 0.0084 0.2915 0.4461
Trichomonas vaginalis AGC family protein kinase 0.0084 0.2915 0.0107
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0163 0.6243 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2926 0.0121
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2926 0.0014
Echinococcus granulosus protein kinase C gamma type 0.0084 0.2915 0.4461
Trichomonas vaginalis AGC family protein kinase 0.0091 0.3207 0.0514
Trypanosoma brucei rac serine-threonine kinase, putative 0.0252 1 1
Brugia malayi protein kinase C II. 0.0084 0.2915 0.2915
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4564 0.6985
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0084 0.2915 0.4461
Echinococcus multilocularis serine:threonine protein kinase N2 0.0084 0.2915 0.4461
Echinococcus multilocularis rac serine:threonine kinase 0.017 0.6535 1
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0161 0.6167 0.9437
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Echinococcus multilocularis serine threonine protein kinase 0.0084 0.2915 0.4461
Mycobacterium ulcerans lysophospholipase 0.0084 0.2926 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0084 0.2915 0.2915
Schistosoma mansoni serine/threonine kinase 0.0084 0.2915 0.4461
Echinococcus multilocularis serine:threonine protein kinase N2 0.0084 0.2915 0.4461
Loa Loa (eye worm) AGC/PKN protein kinase 0.0084 0.2915 0.2915
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.4564 0.6985
Echinococcus multilocularis serine:threonine protein kinase 38 0.0084 0.2915 0.4461
Entamoeba histolytica PH domain containing protein kinase, putative 0.017 0.6535 0.5109
Echinococcus granulosus nervana 2 0.0161 0.6167 0.9437
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2926 0.2926
Giardia lamblia Kinase, AGC PKA 0.0163 0.6243 0.5
Echinococcus granulosus NDR protein kinase 0.0084 0.2915 0.4461
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0163 0.6243 0.9554
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.2926 0.4477
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0084 0.2915 0.0107
Echinococcus granulosus serine/threonine protein kinase 0.017 0.6535 1
Plasmodium vivax PST-A protein 0.0084 0.2926 0.4686
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4564 0.6985
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0163 0.6243 0.9554
Schistosoma mansoni serine/threonine-protein kinase 0.017 0.6535 1
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2926 0.4686
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2926 0.0121
Entamoeba histolytica protein kinase 2, putative 0.0163 0.6243 0.4697
Entamoeba histolytica PH domain containing protein kinase, putative 0.017 0.6535 0.5109
Echinococcus multilocularis protein kinase c epsilon type 0.0084 0.2915 0.4461
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2926 0.0121
Echinococcus multilocularis nervana 2 0.0161 0.6167 0.9437
Echinococcus granulosus protein kinase c epsilon type 0.0084 0.2915 0.4461
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2926 0.4686
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0 0.5
Leishmania major monoglyceride lipase, putative 0.0084 0.2926 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.2926 0.0121
Loa Loa (eye worm) AGC/NDR protein kinase 0.0084 0.2915 0.2915
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0084 0.2915 0.4461
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2926 0.4686
Echinococcus multilocularis Glutaredoxin protein 5 0.0161 0.6167 0.9437
Brugia malayi amidase 0.0123 0.4564 0.4564
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0084 0.2915 0.2915
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0084 0.2915 0.4461
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0084 0.2915 0.4461
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Entamoeba histolytica protein kinase, putative 0.0252 1 1
Trichomonas vaginalis AGC family protein kinase 0.0084 0.2915 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2926 0.0121
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0163 0.6243 0.9554
Entamoeba histolytica protein kinase, putative 0.0252 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0084 0.2915 0.4461
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0084 0.2915 0.4461
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0245 0.9709 0.9709
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0084 0.2915 0.2915
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4564 0.6985
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2926 0.2926
Echinococcus granulosus protein kinase c iota type 0.0084 0.2915 0.4461
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2926 0.0014
Loa Loa (eye worm) hypothetical protein 0.0123 0.4564 0.4564
Echinococcus granulosus nervana 2 0.0161 0.6167 0.9437
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0161 0.6167 0.9437
Trypanosoma cruzi Protein kinase B 0.017 0.6535 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4564 0.6985
Brugia malayi Hr1 repeat family protein 0.0084 0.2915 0.2915
Schistosoma mansoni amidase 0.0123 0.4564 0.6985
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0084 0.2915 0.4461
Mycobacterium ulcerans hypothetical protein 0.0084 0.2926 1
Brugia malayi Protein kinase domain containing protein 0.0084 0.2915 0.2915
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.2926 1
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0163 0.6243 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.2926 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2926 0.0121
Brugia malayi p70 ribosomal S6 kinase beta 0.0245 0.9709 0.9709
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2926 0.0121
Schistosoma mansoni serine/threonine-protein kinase 0.017 0.6535 1
Trichomonas vaginalis AGC family protein kinase 0.0252 1 1
Echinococcus granulosus Glutaredoxin protein 5 0.0161 0.6167 0.9437
Loa Loa (eye worm) AGC/AKT protein kinase 0.0252 1 1
Toxoplasma gondii AGC kinase 0.0245 0.9709 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0084 0.2915 0.2915

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.41 pmol Activation of human recombinant DAGLalpha expressed in African green monkey COS7 cells assessed as increase in anandamide level per mg of extracted lipid at 1 uM preincubated for 10 mins measured after 20 mins by LC-MS analysis in presence of ionomycin (Rvb = 0.16 +/- 004 pmol) ChEMBL. 23474898
Activity (binding) = 7.25 pmol Activation of human recombinant DAGLalpha expressed in African green monkey COS7 cells assessed as increase in N-oleoylethanolamine level per mg of extracted lipid at 1 uM preincubated for 10 mins measured after 20 mins by LC-MS analysis in presence of ionomycin (Rvb = 1.08 +/- 0.17 pmol) ChEMBL. 23474898
Activity (binding) = 412.84 pmol Activation of human recombinant DAGLalpha expressed in African green monkey COS7 cells assessed as increase in 2-arachidonoylglycerol level per mg of extracted lipid at 1 uM preincubated for 10 mins measured after 20 mins by LC-MS analysis in presence of ionomycin (Rvb = 2.82 +/- 0.75 pmol) ChEMBL. 23474898
Efficacy (binding) < 10 % Agonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis relative to allyl isothiocyanate ChEMBL. 23474898
Efficacy (binding) < 10 % Agonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as increase in intracellular Ca2+ concentration by spectrofluorimetric analysis relative to ionomycin ChEMBL. 23474898
IC50 (binding) = 10 nM Inhibition of MAGL (unknown origin) expressed in African green monkey COS7 cell cytosolic fraction assessed as [3H]2-AG hydrolysis to [3H]arachidonic acid after 20 mins by beta counting analysis ChEMBL. 23474898
IC50 (binding) = 12 nM Inhibition of FAAH in rat brain membranes assessed as [14C]AEA hydrolysis to [14C]Ethanolamine after 30 mins by scintillation counting analysis ChEMBL. 23474898
IC50 (binding) = 98.9 uM Antagonist activity at rat TRPA1 receptor expressed in HEK293 cells assessed as inhibition of allyl isothiocyanate-induced intracellular Ca2+ elevation incubated for 5 mins prior to allyl isothiocyanate-stimulation by spectrofluorimetric analysis ChEMBL. 23474898
IC50 (binding) > 100 uM Antagonist activity at human TRPV1 receptor expressed in HEK293 cells assessed as inhibition of capsaicin-induced intracellular Ca2+ elevation incubated for 5 mins prior to capsaicin-stimulation by spectrofluorimetric analysis ChEMBL. 23474898

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.