Detailed information for compound 1765638

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.47 | Formula: C21H26N6O2
  • H donors: 0 H acceptors: 5 LogP: 3.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1nnc(n1)c1ccc(cc1)n1c(C)cc(c1C)C(=O)C(C)(C)C)N(C)C
  • InChi: 1S/C21H26N6O2/c1-13-12-17(18(28)21(3,4)5)14(2)26(13)16-10-8-15(9-11-16)19-22-24-27(23-19)20(29)25(6)7/h8-12H,1-7H3
  • InChiKey: RANAMAYHODRNSY-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 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
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], 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
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 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
Leishmania donovani 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 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
Trypanosoma brucei gambiense 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
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
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
Schistosoma mansoni fatty-acid amide hydrolase Get druggable targets OG5_127783 All targets in OG5_127783
Candida albicans 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
Trichomonas vaginalis conserved hypothetical protein 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
Trypanosoma congolense 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
Leishmania major 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 mansoni amidase Get druggable targets OG5_127783 All targets in OG5_127783
Brugia malayi amidase 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 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
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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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 similar to YJU3 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 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
Leishmania infantum 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
Plasmodium falciparum lysophospholipase, 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
Echinococcus granulosus fatty acid amide hydrolase 1 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
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
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
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 %
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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0274 0.9699 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4127 0.4256
Loa Loa (eye worm) hypothetical protein 0.0123 0.4127 0.4127
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0139 0.5
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0015 0.0139 0.0143
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2695 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2695 0.5
Leishmania major monoglyceride lipase, putative 0.0084 0.2695 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2695 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0139 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.4127 0.4256
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2695 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.4127 0.4256
Plasmodium vivax PST-A protein 0.0084 0.2695 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2695 0.5
Brugia malayi amidase 0.0123 0.4127 0.4045
Schistosoma mansoni tyrosine kinase 0.0274 0.9699 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2695 1
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0274 0.9699 1
Loa Loa (eye worm) amidase 0.0015 0.0139 0.0139
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2695 0.5
Loa Loa (eye worm) TK protein kinase 0.0282 1 1
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2695 1
Loa Loa (eye worm) amidase 0.0015 0.0139 0.0139
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2695 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0015 0.0139 0.0143
Onchocerca volvulus Tyrosine kinase homolog 0.0011 0 0.5
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0139 0.0143
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0139 0.5
Schistosoma mansoni amidase 0.0123 0.4127 0.4256
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0015 0.0139 0.0143
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2695 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2695 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0015 0.0139 0.0143
Plasmodium falciparum esterase, putative 0.0084 0.2695 1
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0274 0.9699 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0015 0.0139 0.0143
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.2695 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2695 0.5
Echinococcus granulosus fibroblast growth factor receptor 4 0.0274 0.9699 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2695 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.2695 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.2695 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4127 0.4256
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.2695 0.5
Mycobacterium ulcerans hypothetical protein 0.0084 0.2695 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.4127 0.4256
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2695 1
Mycobacterium ulcerans lysophospholipase 0.0084 0.2695 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.029 uM Inhibition of FAAH in Sprague-Dawley rat brain microsomes assessed as N-(2-hydroxyethyl)-4-pyren-1-ylbutanamide conversion to 4-pyren-1-ylbutanoic acid preincubated for 10 mins measured after 45 mins by HPLC analysis ChEMBL. 23455058
IC50 (binding) = 0.11 uM Inhibition of human recombinant MAGL-mediated 1,3-dihydroxypropan-1-yl 4-pyren-1-ylbutanoate conversion to 4-pyren-1-ylbutanoic acid preincubated for 15 mins measured after 45 mins by HPLC analysis ChEMBL. 23455058

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.