Detailed information for compound 1456029

Basic information

Technical information
  • TDR Targets ID: 1456029
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophen yl)-5-oxopyrrolidine-3-carboxamide
  • MW: 417.253 | Formula: C19H17BrN2O4
  • H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(cc1)N1CC(CC1=O)C(=O)NCc1ccc2c(c1)OCO2
  • InChi: 1S/C19H17BrN2O4/c20-14-2-4-15(5-3-14)22-10-13(8-18(22)23)19(24)21-9-12-1-6-16-17(7-12)26-11-25-16/h1-7,13H,8-11H2,(H,21,24)
  • InChiKey: WSVOPNBHZSWPSN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-oxo-pyrrolidine-3-carboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxamide
  • N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-keto-pyrrolidine-3-carboxamide
  • A2897/0122046
  • Oprea1_476073
  • IDI1_002925
  • ChemDiv2_004210
  • 1-(4-Bromo-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)-amide
  • MLS000555553
  • SMR000147270

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Trypanosoma brucei methionyl-tRNA synthetase, putative Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Methionine--tRNA ligase (EC 6.1.1.10), related Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania donovani methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus granulosus methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania major methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Trichomonas vaginalis methionine-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni methionine-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma brucei methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis methionine tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma cruzi methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) tyrosyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Candida albicans mitochondrial tRNA methionyl-tRNA synthetase similar to S. cerevisiae MSM1 (YGR171C) mitochondrial methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium falciparum methionine--tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania braziliensis methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Schistosoma japonicum ko:K01874 methionyl-tRNA synthetase [EC6.1.1.10], putative Get druggable targets OG5_127468 All targets in OG5_127468
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium vivax methionine--tRNA ligase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Giardia lamblia Methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania infantum methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium yoelii methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis methionine -- tRNA ligase Get druggable targets OG5_127468 All targets in OG5_127468
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_127468 All targets in OG5_127468
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva methionyl-tRNA synthetase, putative Get druggable targets OG5_127468 All targets in OG5_127468
Brugia malayi methionyl-tRNA synthetase Get druggable targets OG5_127468 All targets in OG5_127468
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae Probable methionyl-tRNA synthase MetS Get druggable targets OG5_127468 All targets in OG5_127468
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum methionyl-tRNA synthetase of possible bacterial origin Get druggable targets OG5_127468 All targets in OG5_127468
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0066 0.4543 0.5
Echinococcus granulosus g protein coupled receptor 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Echinococcus multilocularis neuropeptide receptor A26 0.0116 1 1
Echinococcus granulosus dro:myosuppressin receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Echinococcus multilocularis somatostatin receptor 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Brugia malayi ORL1-like opioid receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0116 1 1
Echinococcus multilocularis fmrfamide receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Echinococcus multilocularis serotonin receptor 0.0116 1 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0116 1 1
Schistosoma mansoni hypothetical protein 0.0116 1 1
Loa Loa (eye worm) melatonin receptor type 1A 0.0116 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0116 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Echinococcus granulosus somatostatin receptor 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0116 1 1
Echinococcus granulosus hypothetical protein 0.0116 1 1
Echinococcus multilocularis sex peptide receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus granulosus g-protein coupled receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis g protein coupled receptor 0.0116 1 1
Schistosoma mansoni opsin-like receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0116 1 1
Brugia malayi Dopamine receptor protein 1 0.0116 1 1
Mycobacterium ulcerans methionyl-tRNA synthetase 0.0066 0.4543 1
Treponema pallidum leucyl-tRNA synthetase 0.0025 0 0.5
Brugia malayi Melatonin receptor type 1A 0.0116 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis G-protein coupled receptor, putative 0.0116 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0116 1 1
Echinococcus multilocularis allatostatin A receptor 0.0116 1 1
Echinococcus granulosus orexin receptor type 2 0.0116 1 1
Schistosoma mansoni amine GPCR 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.0066 0.4543 0.5
Treponema pallidum methionyl-tRNA synthetase 0.0025 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0116 1 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Echinococcus granulosus fmrfamide receptor 0.0116 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0116 1 1
Echinococcus granulosus G protein coupled receptor 139 0.0116 1 1
Brugia malayi Serotonin receptor 0.0116 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0116 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0116 1 1
Brugia malayi neuropeptide F receptor 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Chlamydia trachomatis leucine--tRNA ligase 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0116 1 1
Schistosoma mansoni neuropeptide receptor 0.0116 1 1
Schistosoma mansoni adenoreceptor 0.0116 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0116 1 1
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Schistosoma mansoni neuropeptide F-like receptor 0.0116 1 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus multilocularis neuropeptide s receptor 0.0116 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0116 1 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0041 0.1738 0.1738
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis neuropeptide FF receptor 2 0.0116 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi neuropeptide F receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0116 1 1
Brugia malayi Dopamine receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus granulosus tachykinin peptides receptor 99D 0.0116 1 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0116 1 1
Schistosoma mansoni methionine-tRNA synthetase 0.0066 0.4543 0.4543
Brugia malayi hypothetical protein 0.0116 1 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0116 1 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0066 0.4543 1
Schistosoma mansoni amine GPCR 0.0116 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0116 1 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Schistosoma mansoni neuropeptide f receptor 76f 0.0116 1 1
Echinococcus granulosus g protein coupled receptor 0.0116 1 1
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0116 1 1
Brugia malayi G-protein coupled receptor 0.0116 1 1
Schistosoma mansoni hypothetical protein 0.0116 1 1
Echinococcus granulosus neuropeptide receptor A26 0.0116 1 1
Brugia malayi G protein-coupled receptor 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Plasmodium vivax methionine--tRNA ligase, putative 0.0066 0.4543 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0116 1 1
Leishmania major methionyl-tRNA synthetase, putative 0.0066 0.4543 1
Schistosoma mansoni biogenic amine receptor 0.0116 1 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0116 1 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni histamine h1 receptor 0.0116 1 1
Echinococcus multilocularis methionine tRNA synthetase 0.0066 0.4543 0.4543
Brugia malayi hypothetical protein 0.0116 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis g-protein coupled receptor 0.0116 1 1
Toxoplasma gondii methionyl-tRNA synthetase 0.0066 0.4543 1
Echinococcus granulosus g protein coupled receptor 0.0116 1 1
Echinococcus multilocularis fmrfamide receptor 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0066 0.4543 0.4543
Echinococcus granulosus serotonin receptor 0.0116 1 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0116 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus granulosus neuropeptides capa receptor 0.0116 1 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0116 1 1
Echinococcus granulosus neuropeptide Y receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni opsin-like receptor 0.0116 1 1
Schistosoma mansoni biogenic amine receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0116 1 1
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0066 0.4543 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0116 1 1
Schistosoma mansoni myosin xvIII 0.0116 1 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0116 1 1
Schistosoma mansoni neuropeptide receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi methionyl-tRNA synthetase 0.0066 0.4543 0.4543
Echinococcus granulosus neuropeptide Y receptor 0.0116 1 1
Echinococcus multilocularis g protein coupled receptor 0.0116 1 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0116 1 1
Schistosoma mansoni neuropeptide receptor 0.0116 1 1
Brugia malayi Dopamine receptor protein 2 0.0116 1 1
Schistosoma mansoni opsin-like receptor 0.0116 1 1
Loa Loa (eye worm) TYRA-2 protein 0.0116 1 1
Echinococcus granulosus neuropeptide receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0116 1 1
Brugia malayi larval opioid receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus multilocularis g protein coupled receptor 0.0116 1 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Schistosoma mansoni amine GPCR 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0116 1 1
Brugia malayi RE15519p 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Giardia lamblia Methionyl-tRNA synthetase 0.0066 0.4543 1
Echinococcus granulosus allatostatin A receptor 0.0116 1 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0116 1 1
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0025 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi putative neuropeptide receptor NPR1 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi G-protein coupled receptor 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Echinococcus granulosus neuropeptide FF receptor 2 0.0116 1 1
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Echinococcus granulosus methionine tRNA synthetase 0.0066 0.4543 0.4543
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0116 1 1
Mycobacterium leprae Probable methionyl-tRNA synthase MetS 0.0066 0.4543 0.5
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Echinococcus multilocularis neuropeptide Y receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Schistosoma mansoni amine GPCR 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus granulosus sex peptide receptor 0.0116 1 1
Echinococcus granulosus neuropeptide receptor 0.0116 1 1
Plasmodium falciparum methionine--tRNA ligase 0.0066 0.4543 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0116 1 1
Chlamydia trachomatis methionine--tRNA ligase 0.0025 0 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0116 1 1
Loa Loa (eye worm) neuropeptide F receptor 0.0116 1 1
Schistosoma mansoni amine GPCR 0.0116 1 1
Echinococcus granulosus neuropeptide s receptor 0.0116 1 1
Echinococcus multilocularis neuropeptide receptor 0.0116 1 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0116 1 1
Schistosoma mansoni biogenic amine receptor 0.0116 1 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0116 1 1
Brugia malayi GnHR receptor homolog 0.0116 1 1
Brugia malayi sulfakinin receptor protein 0.0116 1 1
Brugia malayi putative neuropeptide receptor 0.0116 1 1
Brugia malayi Serotonin receptor 0.0116 1 1
Schistosoma mansoni hypothetical protein 0.0116 1 1
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0066 0.4543 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0116 1 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0116 1 1
Brugia malayi AKH receptor 0.0116 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0116 1 1
Brugia malayi follicle stimulating hormone receptor 0.0116 1 1
Echinococcus multilocularis neuropeptide receptor 0.0116 1 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Schistosoma mansoni hypothetical protein 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0116 1 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0116 1 1
Echinococcus multilocularis serotonin receptor 0.0116 1 1
Echinococcus multilocularis orexin receptor type 2 0.0116 1 1
Brugia malayi hypothetical protein 0.0116 1 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0116 1 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0116 1 1
Echinococcus granulosus alpha 1A adrenergic receptor 0.0116 1 1
Loa Loa (eye worm) hypothetical protein 0.0116 1 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0116 1 1
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0116 1 1
Onchocerca volvulus 0.0116 1 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0116 1 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0116 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 11.38 uM PubChem BioAssay. Luminescence-based biochemical high throughput dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 21.36 uM PubChem BioAssay. Counterscreen Fluorescent Polarization-based biochemical high throughput orthogonal dose response assay for inhibitors of Trypanosoma brucei methionyl tRNA synthetase (MetRS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0022 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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