Detailed information for compound 1722936

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 307.35 | Formula: C17H17N5O
  • H donors: 0 H acceptors: 3 LogP: 2.6 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1nnc2c1cccc2)N1CCN(CC1)c1ccccc1
  • InChi: 1S/C17H17N5O/c23-17(22-16-9-5-4-8-15(16)18-19-22)21-12-10-20(11-13-21)14-6-2-1-3-7-14/h1-9H,10-13H2
  • InChiKey: MWFZDBOASDJVCY-UHFFFAOYSA-N  

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 fatty acid amide hydrolase Starlite/ChEMBL References
Homo sapiens monoglyceride lipase 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
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
Candida albicans similar to YJU3 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
Leishmania braziliensis 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Trypanosoma cruzi 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
Mycobacterium ulcerans 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
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
Echinococcus multilocularis fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Get druggable targets OG5_127783 All targets in OG5_127783
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
Plasmodium falciparum lysophospholipase, 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
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
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
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 Fatty-acid amide hydrolase 1, putative 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 donovani monoglyceride lipase, putative 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
Echinococcus granulosus 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
Leishmania mexicana 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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 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 hypothetical protein Get druggable targets OG5_127783 All targets in OG5_127783
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
Plasmodium falciparum lysophospholipase, putative 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
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
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
Echinococcus multilocularis tubulin alpha chain 0.0531 0.5096 0.5096
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Echinococcus granulosus tubulin alpha 1C chain 0.0531 0.5096 0.5096
Loa Loa (eye worm) tubulin alpha chain 0.0531 0.5096 0.5096
Brugia malayi alpha-tubulin 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin epsilon chain 0.0431 0.3843 0.3843
Loa Loa (eye worm) hypothetical protein 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin alpha chain 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin alpha 0.0431 0.3843 0.3843
Echinococcus granulosus tubulin epsilon chain 0.0431 0.3843 0.3843
Plasmodium falciparum tubulin epsilon chain, putative 0.0431 0.3843 0.3309
Trichomonas vaginalis tubulin epsilon chain, putative 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin alpha chain, putative 0.0431 0.3843 0.3309
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Echinococcus granulosus tubulin alpha chain 0.0531 0.5096 0.5096
Echinococcus granulosus Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Schistosoma mansoni tubulin subunit alpha 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin gamma 1 chain 0.0431 0.3843 0.3843
Loa Loa (eye worm) hypothetical protein 0.0344 0.2759 0.2759
Giardia lamblia Alpha-tubulin 0.0531 0.5096 0.467
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Brugia malayi tubulin alpha chain - mouse 0.0531 0.5096 0.5096
Trichomonas vaginalis tubulin alpha chain, putative 0.0244 0.1506 0.077
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Treponema pallidum cell division protein FtsZ 0.0187 0.0798 0.5
Toxoplasma gondii alpha-tubulin I, putative 0.0531 0.5096 0.467
Echinococcus multilocularis tubulin alpha chain 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin alpha chain 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin alpha 3 chain 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin alpha 3 chain 0.0531 0.5096 0.5096
Brugia malayi Tubulin gamma chain 0.0431 0.3843 0.3843
Brugia malayi tubulin alpha-2 chain 0.0531 0.5096 0.5096
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Loa Loa (eye worm) tubulin alpha-2 chain 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin delta chain 0.0187 0.0798 0.0798
Trichomonas vaginalis tubulin alpha chain, putative 0.0244 0.1506 0.077
Trichomonas vaginalis tubulin, putative 0.0244 0.1506 0.077
Trypanosoma brucei alpha tubulin, putative 0.0244 0.1506 0.077
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Trypanosoma cruzi epsilon tubulin, putative 0.0431 0.3843 0.3309
Entamoeba histolytica tubulin alpha-1 chain 0.0531 0.5096 0.2035
Echinococcus multilocularis tubulin alpha 0.0431 0.3843 0.3843
Trypanosoma brucei epsilon tubulin 0.0431 0.3843 0.3309
Trypanosoma brucei alpha tubulin 0.0531 0.5096 0.467
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Echinococcus granulosus peroxisome assembly protein 26 0.0531 0.5096 0.5096
Brugia malayi Tubulin alpha-2 chain 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin alpha 3 chain 0.0531 0.5096 0.5096
Brugia malayi Tubulin alpha chain 0.0531 0.5096 0.5096
Trichomonas vaginalis tubulin epsilon chain, putative 0.0531 0.5096 0.467
Echinococcus granulosus tubulin alpha chain 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin alpha 1C chain 0.0531 0.5096 0.5096
Schistosoma mansoni alpha tubulin 0.0531 0.5096 0.5096
Echinococcus granulosus alpha tubulin 0.0531 0.5096 0.5096
Schistosoma mansoni tubulin subunit delta 0.0187 0.0798 0.0798
Giardia lamblia Gamma tubulin 0.0431 0.3843 0.3309
Echinococcus multilocularis Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Schistosoma mansoni tubulin subunit alpha 0.0531 0.5096 0.5096
Echinococcus multilocularis Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Echinococcus multilocularis hypothetical protein 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin subunit TubB 0.0531 0.5096 0.5096
Onchocerca volvulus 0.0244 0.1506 0.5
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0287 0.2051 0.1362
Loa Loa (eye worm) hypothetical protein 0.0287 0.2051 0.2051
Trypanosoma brucei epsilon tubulin 0.0431 0.3843 0.3309
Trypanosoma cruzi epsilon tubulin, putative 0.0431 0.3843 0.3309
Loa Loa (eye worm) tubulin alpha chain 0.0531 0.5096 0.5096
Schistosoma mansoni alpha tubulin 0.0531 0.5096 0.5096
Trichomonas vaginalis tubulin gamma chain, putative 0.0431 0.3843 0.3309
Trypanosoma brucei alpha tubulin 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0344 0.2759 0.2132
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0431 0.3843 0.3309
Trichomonas vaginalis tubulin alpha chain, putative 0.0244 0.1506 0.077
Schistosoma mansoni tubulin subunit beta 0.0187 0.0798 0.0798
Echinococcus multilocularis peroxisome assembly protein 26 0.0531 0.5096 0.5096
Plasmodium vivax tubulin alpha chain, putative 0.0531 0.5096 0.467
Echinococcus multilocularis tubulin alpha chain 0.0531 0.5096 0.5096
Leishmania major epsilon tubulin, putative 0.0431 0.3843 0.3309
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0187 0.0798 0.5
Echinococcus granulosus tubulin gamma 1 chain 0.0431 0.3843 0.3843
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0531 0.5096 0.467
Loa Loa (eye worm) tubulin alpha 2 0.0344 0.2759 0.2759
Entamoeba histolytica tubulin alpha chain, putative 0.0531 0.5096 0.2035
Echinococcus multilocularis tubulin alpha 1C chain 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin alpha 1C chain 0.0531 0.5096 0.5096
Toxoplasma gondii alpha tubulin TUBA1 0.0531 0.5096 0.467
Loa Loa (eye worm) alpha-tubulin 0.0531 0.5096 0.5096
Trypanosoma brucei alpha tubulin 0.0531 0.5096 0.467
Schistosoma mansoni tubulin subunit gamma 0.0431 0.3843 0.3843
Mycobacterium ulcerans cell division protein FtsZ 0.0187 0.0798 0.5
Mycobacterium leprae cell division protein FtsZ 0.0187 0.0798 0.5
Echinococcus multilocularis Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Trypanosoma cruzi alpha tubulin, putative 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin, putative 0.0244 0.1506 0.077
Plasmodium vivax tubulin gamma chain, putative 0.0431 0.3843 0.3309
Echinococcus granulosus tubulin alpha chain 0.0531 0.5096 0.5096
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Leishmania major gamma-tubulin 0.0431 0.3843 0.3309
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Loa Loa (eye worm) tubulin alpha 2 0.0344 0.2759 0.2759
Trypanosoma brucei tubulin gamma chain 0.0431 0.3843 0.3309
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Brugia malayi Tubulin alpha-2 chain 0.0531 0.5096 0.5096
Brugia malayi Tubulin beta chain 0.0187 0.0798 0.0798
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0344 0.2759 0.2759
Echinococcus granulosus tubulin alpha chain 0.0531 0.5096 0.5096
Brugia malayi Tubulin beta chain 0.0244 0.1506 0.1506
Plasmodium vivax tubulin alpha chain, putative 0.0531 0.5096 0.467
Trichomonas vaginalis tubulin gamma chain, putative 0.0431 0.3843 0.3309
Trypanosoma brucei beta tubulin 0.0431 0.3843 0.3309
Trichomonas vaginalis tubulin beta chain, putative 0.0244 0.1506 0.077
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0244 0.1506 0.077
Echinococcus granulosus Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Plasmodium falciparum alpha tubulin 1 0.0531 0.5096 0.467
Trypanosoma brucei epsilon tubulin 0.0431 0.3843 0.3309
Schistosoma mansoni tubulin subunit alpha 0.0531 0.5096 0.5096
Brugia malayi Cell division protein ftsZ 0.0187 0.0798 0.0798
Loa Loa (eye worm) alpha-tubulin 0.0531 0.5096 0.5096
Trichomonas vaginalis tubulin beta chain, putative 0.0531 0.5096 0.467
Schistosoma mansoni tubulin subunit alpha 0.0187 0.0798 0.0798
Echinococcus multilocularis tubulin delta chain 0.0187 0.0798 0.0798
Leishmania major alpha tubulin 0.0531 0.5096 0.467
Plasmodium vivax tubulin epsilon chain, putative 0.0431 0.3843 0.3309
Plasmodium falciparum alpha tubulin 2 0.0531 0.5096 0.467
Loa Loa (eye worm) tubulin beta chain 0.0187 0.0798 0.0798
Schistosoma mansoni tubulin subunit epsilon 0.0431 0.3843 0.3843
Echinococcus multilocularis tubulin subunit TubB 0.0531 0.5096 0.5096
Brugia malayi Tubulin alpha chain 0.0187 0.0798 0.0798
Echinococcus granulosus Tubulin alpha 1 chain 0.0531 0.5096 0.5096
Echinococcus multilocularis tubulin alpha chain 0.0531 0.5096 0.5096
Trypanosoma cruzi tubulin gamma chain 0.0431 0.3843 0.3309
Schistosoma mansoni alpha tubulin 0.0531 0.5096 0.5096
Echinococcus granulosus tubulin alpha 3 chain 0.0531 0.5096 0.5096
Plasmodium falciparum tubulin gamma chain 0.0431 0.3843 0.3309
Trypanosoma brucei alpha tubulin 0.0531 0.5096 0.467
Giardia lamblia Alpha-tubulin 0.0531 0.5096 0.467
Loa Loa (eye worm) tubulin alpha-3 chain 0.0287 0.2051 0.2051
Loa Loa (eye worm) tubulin gamma chain 0.0431 0.3843 0.3843
Mycobacterium tuberculosis Cell division protein FtsZ 0.0187 0.0798 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 11 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
IC50 (binding) = 21 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

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.