Detailed information for compound 1070075

Basic information

Technical information
  • TDR Targets ID: 1070075
  • Name: 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl )propyl]acetamide
  • MW: 355.227 | Formula: C15H19BrN2O3
  • H donors: 1 H acceptors: 2 LogP: 1.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(COc1ccc(cc1)Br)NCCCN1CCCC1=O
  • InChi: 1S/C15H19BrN2O3/c16-12-4-6-13(7-5-12)21-11-14(19)17-8-2-10-18-9-1-3-15(18)20/h4-7H,1-3,8-11H2,(H,17,19)
  • InChiKey: WDLIPQRARXYTBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-bromophenoxy)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]acetamide
  • 2-(4-bromophenoxy)-N-[3-(2-ketopyrrolidin-1-yl)propyl]acetamide
  • 2-(4-bromophenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]ethanamide
  • ZINC03413918
  • T5336279

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0124 0.0613
Loa Loa (eye worm) hypothetical protein 0.0012 0.0075 0.0218
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis smad 0.0016 0.0124 0.0112
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.0075 0.0311
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0165 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0232 0.289 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0491 0.2419
Echinococcus granulosus geminin 0.0165 0.2028 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Onchocerca volvulus 0.0019 0.0165 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus granulosus smad 0.0016 0.0124 0.0555
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0491 0.2372
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0075 0.4422
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Loa Loa (eye worm) oxidoreductase 0.0019 0.0165 0.053
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0491 0.0479
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0118 0.0106
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0019 0.0165 0.9718
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0075 0.0218
Entamoeba histolytica aldose reductase, putative 0.0019 0.0165 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0124 0.0555
Echinococcus multilocularis aldo keto reductase 0.0019 0.0165 0.0153
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.0075 0.0063
Brugia malayi MH1 domain containing protein 0.0009 0.0034 0.0075
Plasmodium falciparum aldehyde reductase, putative 0.0019 0.0165 0.5206
Echinococcus granulosus aldo keto reductase 0.0019 0.0165 0.0756
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0124 0.0112
Giardia lamblia Aldose reductase 0.0019 0.0165 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0346 0.1158
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0293 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0124 0.0555
Onchocerca volvulus 0.0019 0.0165 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0542 0.1839
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0582
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Brugia malayi MH1 domain containing protein 0.0009 0.0034 0.0075
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Entamoeba histolytica alcohol dehydrogenase, putative 0.0019 0.0165 1
Brugia malayi MH2 domain containing protein 0.0016 0.0124 0.0389
Schistosoma mansoni DNA helicase recq1 0.0012 0.0075 0.037
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0491 0.1662
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Plasmodium vivax aldehyde reductase, putative 0.0019 0.0165 0.857
Schistosoma mansoni hypothetical protein 0.0033 0.0346 0.1704
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0165 0.053
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0165 0.2598
Schistosoma mansoni Smad4 0.0007 0.0012 0.0061
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0542 0.1839
Echinococcus granulosus aldo keto reductase 0.0019 0.0165 0.0756
Echinococcus multilocularis geminin 0.0165 0.2028 0.2018
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Mycobacterium ulcerans oxidoreductase 0.0019 0.0165 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase 0.0019 0.0165 0.0153
Loa Loa (eye worm) oxidoreductase 0.0019 0.0165 0.053
Onchocerca volvulus 0.0019 0.0165 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0019 0.0165 0.053
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0019 0.0165 1
Echinococcus granulosus GPCR family 2 0.0015 0.0118 0.0524
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0118 0.0524
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0075 0.0218
Schistosoma mansoni smad 0.0016 0.0124 0.0613
Brugia malayi MH2 domain containing protein 0.0016 0.0124 0.0389
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0019 0.0165 0.053
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0293 0.0281
Loa Loa (eye worm) oxidoreductase 0.0019 0.0165 0.053
Loa Loa (eye worm) hypothetical protein 0.0146 0.1787 0.6169
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0165 0.2598
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.012 0.0344
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0613
Toxoplasma gondii aldo-keto reductase 0.0019 0.0165 0.9718
Onchocerca volvulus 0.0019 0.0165 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.0165 0.053
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0019 0.0165 0.0756
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Loa Loa (eye worm) hypothetical protein 0.0009 0.0034 0.0075
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0118 0.0106
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0019 0.0165 0.5
Entamoeba histolytica aldose reductase, putative 0.0019 0.0165 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.012 0.0344
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.0075 0.0063
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Onchocerca volvulus 0.0019 0.0165 1
Echinococcus multilocularis Smad4 0.0016 0.0124 0.0112
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase 0.0019 0.0165 0.0153
Onchocerca volvulus 0.0019 0.0165 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0019 0.0165 0.9718
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Schistosoma mansoni aldo-keto reductase 0.0019 0.0165 0.0813
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Schistosoma mansoni smad 0.0007 0.0012 0.0061
Giardia lamblia Aldose reductase 0.0019 0.0165 1
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.0075 0.0311
Schistosoma mansoni hypothetical protein 0.0165 0.2028 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0118 0.0368
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0019 0.0165 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0118 0.0524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0491 0.0479
Brugia malayi MH1 domain containing protein 0.0016 0.0124 0.0389
Loa Loa (eye worm) RecQ helicase 0.0029 0.0293 0.0974
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0542 0.1839
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0124 0.0112
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0019 0.0165 0.857
Onchocerca volvulus 0.0019 0.0165 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0118 0.0368
Echinococcus granulosus bloom syndrome protein 0.0029 0.0293 0.139
Loa Loa (eye worm) hypothetical protein 0.0015 0.0118 0.0367
Loa Loa (eye worm) hypothetical protein 0.0033 0.0346 0.1158
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0613
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0215 0.1058
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0118 0.0526
Brugia malayi Smad1 0.0016 0.0124 0.0389
Schistosoma mansoni smad1 5 8 and 0.0016 0.0124 0.0613
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0118 0.698
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0118 0.0367
Mycobacterium ulcerans hypothetical protein 0.0019 0.0165 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0165 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.0165 0.053
Echinococcus granulosus hypothetical protein 0.0019 0.0165 0.0756
Mycobacterium leprae Possible oxidoreductase 0.0019 0.0165 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0124 0.0389
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0293 0.0974
Trichomonas vaginalis alcohol dehydrogenase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Echinococcus multilocularis voltage gated potassium channel subunit 0.0019 0.0165 0.0153
Leishmania major prostaglandin f synthase, putative 0.0019 0.0165 1
Entamoeba histolytica aldose reductase, putative 0.0019 0.0165 1
Schistosoma mansoni Smad4 0.0007 0.0012 0.0061
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.0165 1
Schistosoma mansoni aldo-keto reductase 0.0019 0.0165 0.0813
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.0075 0.0218
Schistosoma mansoni hypothetical protein 0.0165 0.2028 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0491 0.2419
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0173 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0165 0.053
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0542 0.1839
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Schistosoma mansoni Smad4 0.0016 0.0124 0.0613
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0118 0.0368
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Echinococcus multilocularis GPCR, family 2 0.0015 0.0118 0.0106
Loa Loa (eye worm) transcription factor SMAD2 0.0232 0.289 1
Trypanosoma brucei aldo/keto reductase, putative 0.0019 0.0165 1
Echinococcus multilocularis aldo keto reductase 0.0019 0.0165 0.0153
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0118 0.0106
Loa Loa (eye worm) Smad1 0.0016 0.0124 0.0389
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0118 0.2515
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0165 0.053
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0491 0.1662
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0118 0.0367
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0118 0.0106
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0124 0.0389
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0118 0.0106
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Entamoeba histolytica recQ family helicase, putative 0.0015 0.012 0.728
Echinococcus granulosus aldo keto reductase 0.0019 0.0165 0.0756
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.012 0.0344
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0019 0.0165 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0293 1
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0582
Loa Loa (eye worm) hypothetical protein 0.0019 0.0165 0.053
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0118 0.698
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.0075 0.4422
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0019 0.0165 0.0153
Trypanosoma brucei prostaglandin f synthase 0.0019 0.0165 1
Plasmodium falciparum aldo-keto reductase, putative 0.0019 0.0165 0.5206
Echinococcus granulosus voltage gated potassium channel subunit 0.0019 0.0165 0.0756
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0118 0.0106
Toxoplasma gondii aldose reductase, putative 0.0019 0.0165 0.9718
Echinococcus granulosus Smad4 0.0016 0.0124 0.0555
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0118 0.0367
Trypanosoma cruzi aldo-keto reductase 0.0019 0.0165 1
Loa Loa (eye worm) nuclear factor I 0.0009 0.0034 0.0075
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0118 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0491 0.2419
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.0248 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Brugia malayi MH1 domain containing protein 0.0016 0.0124 0.0389
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0019 0.0165 0.0756
Schistosoma mansoni hypothetical protein 0.0015 0.0118 0.0582
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.0165 0.053
Schistosoma mansoni potassium channel beta 0.0019 0.0165 0.0813
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.0165 0.2598
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0491 0.2372
Brugia malayi MH2 domain containing protein 0.0232 0.289 1
Trypanosoma brucei aldo-keto reductase, putative 0.0019 0.0165 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.017 1
Schistosoma mansoni DNA helicase recq5 0.0012 0.0075 0.037
Schistosoma mansoni pol-related 0.0019 0.0165 0.0813
Leishmania major aldo-keto reductase-like protein 0.0019 0.0165 1
Mycobacterium tuberculosis Conserved protein 0.0019 0.0165 1
Brugia malayi NADH-dependent xylose reductase 0.0019 0.0165 0.053
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.0165 0.2598
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.0165 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0118 0.0584

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8275 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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