Detailed information for compound 1030408

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.315 | Formula: C15H18N2O3
  • H donors: 1 H acceptors: 1 LogP: 2.31 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Oc1ccc(cc1)C1=NCCO1)NC1CCCC1
  • InChi: 1S/C15H18N2O3/c18-15(17-12-3-1-2-4-12)20-13-7-5-11(6-8-13)14-16-9-10-19-14/h5-8,12H,1-4,9-10H2,(H,17,18)
  • InChiKey: SAYBKFABPXLSRX-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
Rattus norvegicus 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 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 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
Schistosoma japonicum Fatty-acid amide hydrolase 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 esterase, 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
Echinococcus multilocularis fatty acid amide hydrolase 1 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
Mycobacterium tuberculosis Possible lysophospholipase 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 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 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
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
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
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 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
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 hypothetical protein 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 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 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 similar to YJU3 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
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
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum epoxide hydrolase 2 Monoglyceride lipase   303 aa 254 aa 22.4 %
Plasmodium vivax PST-A protein Monoglyceride lipase   303 aa 261 aa 24.1 %
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase Monoglyceride lipase   303 aa 250 aa 21.2 %
Plasmodium vivax lysophospholipase, putative Monoglyceride lipase   303 aa 361 aa 21.6 %
Onchocerca volvulus Anandamide amidohydrolase   579 aa 539 aa 34.7 %
Echinococcus granulosus fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.7 %
Neospora caninum Lysophospholipase, related Monoglyceride lipase   303 aa 380 aa 21.1 %
Plasmodium vivax hypothetical protein, conserved Monoglyceride lipase   303 aa 282 aa 20.6 %
Mycobacterium ulcerans hydrolase Monoglyceride lipase   303 aa 284 aa 22.5 %
Plasmodium knowlesi esterase, putative Monoglyceride lipase   303 aa 259 aa 25.5 %
Leishmania braziliensis hypothetical protein, conserved Monoglyceride lipase   303 aa 250 aa 24.8 %
Mycobacterium tuberculosis Possible hydrolase Monoglyceride lipase   303 aa 263 aa 23.2 %
Plasmodium vivax lysophospholipase, putative Monoglyceride lipase   303 aa 274 aa 23.4 %
Plasmodium vivax PST-A protein Monoglyceride lipase   303 aa 257 aa 21.0 %
Babesia bovis lysophospholipase, putative Monoglyceride lipase   303 aa 289 aa 22.8 %
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative Monoglyceride lipase   303 aa 245 aa 23.3 %
Candida albicans similar to S. cerevisiae YOR084W Monoglyceride lipase   303 aa 303 aa 23.4 %
Plasmodium vivax unspecified product Monoglyceride lipase   303 aa 274 aa 23.4 %
Plasmodium knowlesi alpha/beta hydrolase, putative Monoglyceride lipase   303 aa 261 aa 21.5 %
Plasmodium knowlesi lysophospholipase, putative Monoglyceride lipase   303 aa 250 aa 22.4 %
Plasmodium berghei prodrug activation and resistance esterase, putative Monoglyceride lipase   303 aa 266 aa 22.9 %
Plasmodium berghei alpha/beta hydrolase, putative Monoglyceride lipase   303 aa 284 aa 20.4 %
Echinococcus multilocularis fatty acid amide hydrolase 1 Anandamide amidohydrolase   579 aa 470 aa 28.3 %
Plasmodium knowlesi conserved Plasmodium protein, unknown function Monoglyceride lipase   303 aa 272 aa 20.2 %
Toxoplasma gondii phospholipase Monoglyceride lipase   303 aa 378 aa 20.9 %
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative Anandamide amidohydrolase   579 aa 499 aa 24.6 %
Trypanosoma brucei Ankyrin repeats (many copies)/Alpha/beta hydrolase family, putative Monoglyceride lipase   303 aa 276 aa 23.2 %
Plasmodium falciparum esterase, putative Monoglyceride lipase   303 aa 273 aa 19.0 %
Candida albicans similar to S. cerevisiae YOR084W Monoglyceride lipase   303 aa 303 aa 23.4 %
Plasmodium knowlesi lysophospholipase, putative Monoglyceride lipase   303 aa 280 aa 23.2 %
Plasmodium falciparum esterase, putative Monoglyceride lipase   303 aa 265 aa 21.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.641 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 1 1
Schistosoma mansoni ap endonuclease 0.0018 0.0307 0.0307
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.641 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.2711 0.2711
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.641 1
Loa Loa (eye worm) hypothetical protein 0.0123 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0307 0.0479
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0307 0.0307
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.641 1
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.641 1
Mycobacterium ulcerans lysophospholipase 0.0084 0.641 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.641 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2711 0.2711
Plasmodium vivax PST-A protein 0.0084 0.641 1
Plasmodium falciparum lysophospholipase, putative 0.0084 0.641 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.641 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2711 0.2711
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0307 0.5
Schistosoma mansoni amidase 0.0123 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0307 0.0479
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0307 0.0479
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.641 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.641 1
Leishmania major monoglyceride lipase, putative 0.0084 0.641 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.641 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2711 0.2711
Schistosoma mansoni ap endonuclease 0.0018 0.0307 0.0307
Mycobacterium ulcerans hypothetical protein 0.0084 0.641 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.641 1
Plasmodium falciparum lysophospholipase, putative 0.0084 0.641 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0307 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.641 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.641 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2711 0.2711
Plasmodium falciparum lysophospholipase, putative 0.0084 0.641 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0307 0.0479
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2711 0.2711
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2711 0.2711
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.641 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2711 0.2711
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0307 0.0479
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0307 0.0479
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0307 0.0479
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0307 0.0307
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2711 0.2711
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.641 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0307 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0307 0.0479
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0307 0.0307
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0307 0.0307
Toxoplasma gondii exonuclease III APE 0.0018 0.0307 0.5
Plasmodium falciparum esterase, putative 0.0084 0.641 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.1 uM Inhibition of FAAH in Wistar rat cerebral membrane by liquid scintillation counting ChEMBL. 19232787
IC50 (binding) = 11 uM Inhibition of MGL in Wistar rat cerebral membrane by HPLC ChEMBL. 19232787
Inhibition (binding) = 21 % Inhibition of MGL in Wistar rat cerebral membrane assessed as residual activity at 1 mM by HPLC ChEMBL. 19232787

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

No literature references available for this target.

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