Detailed information for compound 1097241

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 463.483 | Formula: C25H25N3O6
  • H donors: 0 H acceptors: 3 LogP: 4.32 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C25H25N3O6/c1-32-21-9-11-22(12-10-21)33-24-4-2-3-19(17-24)18-26-13-15-27(16-14-26)25(29)34-23-7-5-20(6-8-23)28(30)31/h2-12,17H,13-16,18H2,1H3
  • InChiKey: SSRDUXSVIZJVGA-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
Mus musculus monoglyceride lipase Starlite/ChEMBL References
Mus musculus fatty acid amide hydrolase Starlite/ChEMBL References
Mus musculus abhydrolase domain containing 6 Starlite/ChEMBL References
Mus musculus patatin-like phospholipase domain containing 6 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Echinococcus granulosus patatin phospholipase domain containing protein Get druggable targets OG5_128271 All targets in OG5_128271
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128271 All targets in OG5_128271
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
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD Get druggable targets OG5_134412 All targets in OG5_134412
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 granulosus fatty acid amide hydrolase 1 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
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
Schistosoma japonicum Fatty-acid amide hydrolase 1, putative 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
Schistosoma mansoni 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
Leishmania infantum monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein Get druggable targets OG5_128271 All targets in OG5_128271
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
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Brugia malayi amidase Get druggable targets OG5_127783 All targets in OG5_127783
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
Leishmania donovani 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
Leishmania braziliensis monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum expressed protein Get druggable targets OG5_128271 All targets in OG5_128271
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 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
Treponema pallidum hypothetical protein Get druggable targets OG5_128271 All targets in OG5_128271
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
Echinococcus multilocularis 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
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
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
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein Get druggable targets OG5_128271 All targets in OG5_128271
Candida albicans similar to S. cerevisiae YML059C predicted ER hydrolase Get druggable targets OG5_128271 All targets in OG5_128271
Trichomonas vaginalis valacyclovir hydrolase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative Get druggable targets OG5_128271 All targets in OG5_128271
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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 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
Echinococcus granulosus fatty acid amide hydrolase 1 Get druggable targets OG5_127783 All targets in OG5_127783
Echinococcus multilocularis patatin phospholipase domain containing protein Get druggable targets OG5_128271 All targets in OG5_128271
Mycobacterium tuberculosis 4,9-DHSA hydrolase Get druggable targets OG5_134412 All targets in OG5_134412
Candida albicans similar to S. cerevisiae YML059C predicted ER hydrolase Get druggable targets OG5_128271 All targets in OG5_128271
Plasmodium falciparum lysophospholipase, 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
Trypanosoma congolense 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
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium tuberculosis Conserved protein Get druggable targets OG5_128271 All targets in OG5_128271
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 major monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Onchocerca volvulus Get druggable targets OG5_128271 All targets in OG5_128271
Schistosoma japonicum ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative 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
Plasmodium falciparum epoxide hydrolase 2 abhydrolase domain containing 6 336 aa 295 aa 19.7 %
Plasmodium vivax hypothetical protein, conserved monoglyceride lipase 258 aa 241 aa 22.0 %
Trypanosoma cruzi amidase, putative fatty acid amide hydrolase 579 aa 467 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0123 0.0123
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Brugia malayi putative amidase 0.0015 0.0091 0.0243
Loa Loa (eye worm) hypothetical protein 0.0123 0.2306 0.6143
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi Cytochrome P450 family protein 0.0019 0.0175 0.0467
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.1511 1
Mycobacterium ulcerans amidase 0.0015 0.0091 0.0091
Loa Loa (eye worm) patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Echinococcus multilocularis expressed conserved protein 0.0182 0.3514 0.6439
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0015 0.0091 0.0167
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0142 0.0142
Loa Loa (eye worm) amidase 0.0015 0.0091 0.0243
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi Patched related family protein 12 0.0012 0.0028 0.0075
Mycobacterium ulcerans peptide amidase, GatA 0.0015 0.0091 0.0091
Leishmania major monoglyceride lipase, putative 0.0084 0.1511 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0378
Trypanosoma cruzi amidase, putative 0.0015 0.0091 0.0604
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0262 0.1601
Schistosoma mansoni hypothetical protein 0.008 0.1428 0.3744
Toxoplasma gondii patched family protein 0.0012 0.0028 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0262 0.0262
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.1511 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi Myosin head containing protein 0.0012 0.0028 0.0075
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0123 0.0123
Trypanosoma cruzi amidase, putative 0.0015 0.0091 0.0604
Toxoplasma gondii patched family protein 0.0012 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0262 0.1734
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Brugia malayi Patched related family protein 10 0.0012 0.0028 0.0075
Schistosoma mansoni hypothetical protein 0.008 0.1428 0.3744
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0123 0.0123
Plasmodium falciparum lysophospholipase, putative 0.0084 0.1511 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0019 0.0175 0.0175
Schistosoma mansoni amidase 0.0123 0.2306 0.6044
Mycobacterium ulcerans hypothetical protein 0.0084 0.1511 0.1511
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0175 0.0467
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0015 0.0091 0.0167
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans hypothetical protein 0.0023 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0262 0.1601
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0175 0.1161
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2306 0.4226
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0058 0.0968 0.2579
Schistosoma mansoni hypothetical protein 0.008 0.1428 0.3744
Brugia malayi protein C24B5.3 0.0012 0.0028 0.0075
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0262 0.1734
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0123 0.0123
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0083 0.149 0.3968
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0015 0.0091 0.0558
Brugia malayi amidase 0.0123 0.2306 0.6143
Loa Loa (eye worm) patched family protein 0.0012 0.0028 0.0075
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.0142 0.0769
Plasmodium falciparum esterase, putative 0.0084 0.1511 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) CYP4Cod1 0.0019 0.0175 0.0467
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0012 0.0038 0.0038
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.1511 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0262 0.0262
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0091 0.5
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0015 0.0091 0.0558
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0262 0.0262
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0015 0.0091 0.0604
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0378
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0262 0.1734
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.1511 0.3576
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0015 0.0091 0.0091
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0142 0.0142
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0262 0.0698
Leishmania major cytochrome p450-like protein 0.0019 0.0175 0.1161
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi hypothetical protein 0.0012 0.0028 0.0075
Echinococcus granulosus fatty acid amide hydrolase 1 0.0123 0.2306 0.4226
Trypanosoma cruzi cytochrome P450, putative 0.0019 0.0175 0.1161
Loa Loa (eye worm) patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) patched family protein 0.0012 0.0028 0.0075
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0142 0.0769
Echinococcus multilocularis Niemann Pick C1 protein 0.0194 0.3754 0.688
Echinococcus multilocularis sterol regulatory element binding protein 0.0083 0.149 0.273
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0091 0.0427
Mycobacterium ulcerans transmembrane transport protein 0.0012 0.0038 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.1511 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0262 0.0262
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0015 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0378
Schistosoma mansoni hypothetical protein 0.008 0.1428 0.3744
Loa Loa (eye worm) hypothetical protein 0.0023 0.0262 0.0698
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0083 0.149 0.3968
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0015 0.0091 0.0239
Brugia malayi Amidase family protein 0.0015 0.0091 0.0243
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0194 0.3754 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0015 0.0091 0.0091
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0015 0.0091 0.0091
Loa Loa (eye worm) cytochrome P450 family protein 0.0048 0.0764 0.2035
Onchocerca volvulus 0.0058 0.0968 1
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0053 0.0879 0.2302
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Echinococcus granulosus patatin phospholipase domain containing protein 0.0058 0.0968 0.1775
Treponema pallidum hypothetical protein 0.005 0.0808 1
Echinococcus multilocularis protein patched 0.0083 0.149 0.273
Loa Loa (eye worm) hypothetical protein 0.0023 0.0262 0.0698
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.009 0.1637 1
Schistosoma mansoni patched 1 0.0083 0.149 0.3904
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi hypothetical protein 0.0012 0.0028 0.0075
Schistosoma mansoni fatty-acid amide hydrolase 0.0123 0.2306 0.6044
Loa Loa (eye worm) hypothetical protein 0.0058 0.0968 0.2579
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.0499 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.1511 1
Brugia malayi Cytochrome P450 family protein 0.0048 0.0764 0.2035
Leishmania major hypothetical protein, conserved 0.0015 0.0091 0.0604
Mycobacterium tuberculosis Possible lysophospholipase 0.009 0.1637 0.1637
Echinococcus multilocularis protein dispatched 1 0.0095 0.173 0.3171
Toxoplasma gondii hypothetical protein 0.0012 0.0028 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.1511 1
Mycobacterium ulcerans amidase 0.0015 0.0091 0.0091
Loa Loa (eye worm) amidase 0.0015 0.0091 0.0243
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Plasmodium falciparum lysophospholipase, putative 0.0084 0.1511 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0262 0.0698
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.1511 0.3576
Brugia malayi Cytochrome P450 family protein 0.0019 0.0175 0.0467
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0262 0.0262
Toxoplasma gondii patched family protein 0.0012 0.0028 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0262 0.0262
Onchocerca volvulus 0.0023 0.0262 0.2489
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0015 0.0091 0.0091
Brugia malayi Patched protein homolog 1 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0015 0.0091 0.0427
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0142 1
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0015 0.0091 0.0167
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.1511 1
Echinococcus granulosus Niemann Pick C1 protein 0.0194 0.3754 0.688
Echinococcus granulosus Niemann Pick C1 protein 0.0277 0.5457 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0197 0.3816 1
Mycobacterium tuberculosis Conserved protein 0.0058 0.0968 0.0968
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0015 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Schistosoma mansoni fatty-acid amide hydrolase 0.0015 0.0091 0.0239
Mycobacterium ulcerans amidase 0.0015 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0378
Brugia malayi Niemann-Pick C1 protein precursor 0.0194 0.3754 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2306 0.4226
Echinococcus granulosus Protein patched homolog 1 0.0083 0.149 0.273
Loa Loa (eye worm) hypothetical protein 0.0194 0.3754 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.1511 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0017 0.0142 0.0378
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0053 0.0879 0.2302
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0058 0.0968 0.1775
Brugia malayi Patched related family protein 4 0.0012 0.0028 0.0075
Plasmodium falciparum lysophospholipase, putative 0.0084 0.1511 1
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0023 0.0262 0.0698
Echinococcus multilocularis Niemann Pick C1 protein 0.0277 0.5457 1
Plasmodium vivax PST-A protein 0.0084 0.1511 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.1511 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0262 0.0262
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.1511 1
Brugia malayi hypothetical protein 0.0012 0.0028 0.0075
Trypanosoma brucei cytochrome P450, putative 0.0019 0.0175 0.1161
Loa Loa (eye worm) hypothetical protein 0.0102 0.1873 0.4988
Echinococcus granulosus sterol regulatory element binding protein 0.0083 0.149 0.273
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0262 0.0698
Echinococcus granulosus fatty acid amide hydrolase 1 0.0015 0.0091 0.0167
Brugia malayi Amidase family protein 0.0015 0.0091 0.0243
Toxoplasma gondii patched family protein 0.0012 0.0028 1
Echinococcus granulosus expressed conserved protein 0.0182 0.3514 0.6439
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.1511 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0123 0.2306 0.4226
Brugia malayi hypothetical protein 0.0012 0.0028 0.0075
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Brugia malayi CHE-14 protein 0.0083 0.149 0.3968
Brugia malayi Patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans lysophospholipase 0.0084 0.1511 0.1511
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0175 0.0467
Loa Loa (eye worm) patched family protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075
Mycobacterium ulcerans amidase 0.0015 0.0091 0.0091
Brugia malayi protein C24B5.3 0.0012 0.0028 0.0075
Mycobacterium ulcerans amidase 0.0015 0.0091 0.0091
Loa Loa (eye worm) hypothetical protein 0.0012 0.0028 0.0075

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 90 nM Inhibition of FAAH in mouse brain membrane ChEMBL. 20099888
IC50 (binding) = 130 nM Inhibition of MAGL in mouse brain membrane ChEMBL. 20099888
IC50 (binding) = 460 nM Inhibition of ABHD6 in mouse brain membrane ChEMBL. 20099888
IC50 (binding) = 2900 nM Inhibition of NTE in mouse brain membrane ChEMBL. 20099888
Inhibition (binding) = 60 % Inhibition of NTE in mouse brain membrane at 100 uM ChEMBL. 20099888

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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