Detailed information for compound 1426678

Basic information

Technical information
  • TDR Targets ID: 1426678
  • Name: 2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacet amide
  • MW: 288.113 | Formula: C11H11BrFNO2
  • H donors: 1 H acceptors: 1 LogP: 2.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC1CC1)COc1ccc(cc1F)Br
  • InChi: 1S/C11H11BrFNO2/c12-7-1-4-10(9(13)5-7)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
  • InChiKey: QSIGMANPFXMNRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-bromo-2-fluoro-phenoxy)-N-cyclopropyl-acetamide
  • 2-(4-bromo-2-fluoro-phenoxy)-N-cyclopropyl-ethanamide
  • ZINC03404370
  • T5495805

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
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Cryptosporidium parvum conserved hypothetical protein 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic 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
Brugia malayi exodeoxyribonuclease III family protein 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma mansoni ap endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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 polo-like protein kinase, putative 0.0198 0.1907 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.009 0.0176
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.012 0.309
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.009 0.0176
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0117 0.006
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0032 0.0185 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0871 0.4397
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.009 0.0244
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0189 0.0132
Schistosoma mansoni hypothetical protein 0.0032 0.0189 0.0557
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.009 0.0176
Onchocerca volvulus Serine\/threonine kinase homolog 0.0198 0.1907 0.5
Schistosoma mansoni smad1 5 8 and 0.0025 0.0117 0.0252
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.009 0.0053
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.009 0.5
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0609 0.6166 1
Entamoeba histolytica hypothetical protein 0.0043 0.0305 0.1338
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0305 0.1049
Brugia malayi hypothetical protein 0.0043 0.0305 0.0824
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.009 0.0244
Loa Loa (eye worm) hypothetical protein 0.0032 0.0189 0.051
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0576 0.1557
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0189 0.051
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.1557
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0198 0.1907 0.7844
Echinococcus multilocularis GPCR, family 2 0.0032 0.0189 0.0132
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.091 0.2458
Echinococcus granulosus GPCR family 2 0.0032 0.0189 0.0557
Schistosoma mansoni kinase 0.0101 0.0898 0.3564
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0305 0.0249
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0609 0.6166 1
Schistosoma mansoni hypothetical protein 0.0032 0.0189 0.0557
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0325 0.1446
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0058 0.0156
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.012 0.0335
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0247 0.2416 0.6525
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0247 0.2416 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0117 0.0316
Echinococcus granulosus dna polymerase eta 0.0045 0.0325 0.1134
Entamoeba histolytica serine/threonine protein kinase, putative 0.0198 0.1907 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.009 0.0033
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.009 0.0176
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.009 0.0053
Loa Loa (eye worm) transcription factor SMAD2 0.0371 0.3703 1
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0609 0.6166 1
Entamoeba histolytica hypothetical protein 0.0043 0.0305 0.1338
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0609 0.6166 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0247 0.2416 0.2372
Brugia malayi hypothetical protein 0.0016 0.0026 0.007
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.009 0.0176
Brugia malayi MH2 domain containing protein 0.0371 0.3703 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0117 0.0252
Schistosoma mansoni smad 0.0025 0.0117 0.0252
Entamoeba histolytica hypothetical protein 0.0043 0.0305 0.1338
Brugia malayi serine/threonine-protein kinase plk-2 0.0198 0.1907 0.5152
Treponema pallidum hypothetical protein 0.0609 0.6166 1
Schistosoma mansoni hypothetical protein 0.007 0.0576 0.22
Brugia malayi hypothetical protein 0.0026 0.012 0.0323
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0609 0.6166 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.012 0.0048
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0198 0.1907 0.5152
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Trichomonas vaginalis CAMK family protein kinase 0.0098 0.0871 0.4397
Schistosoma mansoni hypothetical protein 0.0043 0.0305 0.1049
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0198 0.1907 1
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.012 0.0335
Brugia malayi MH1 domain containing protein 0.0025 0.0117 0.0316
Entamoeba histolytica hypothetical protein 0.0043 0.0305 0.1338
Schistosoma mansoni hypothetical protein 0.0032 0.0189 0.0557
Brugia malayi Smad1 0.0025 0.0117 0.0316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0247 0.2416 0.2372
Giardia lamblia Kinase, PLK 0.0198 0.1907 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.009 0.0176
Echinococcus multilocularis Smad4 0.0025 0.0117 0.006
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0198 0.1907 0.1861
Brugia malayi MH2 domain containing protein 0.0025 0.0117 0.0316
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0305 0.1049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0189 0.051
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.012 0.0048
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0247 0.2416 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0117 0.0316
Schistosoma mansoni smad1 5 8 and 0.0025 0.0117 0.0252
Loa Loa (eye worm) hypothetical protein 0.0026 0.012 0.0323
Loa Loa (eye worm) hypothetical protein 0.0102 0.091 0.2458
Brugia malayi MH1 domain containing protein 0.0025 0.0117 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0247 0.2416 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.009 0.0138
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0247 0.2416 0.6525
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0058 0.0156
Schistosoma mansoni Smad4 0.0025 0.0117 0.0252
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.009 0.0176
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.009 0.0176
Loa Loa (eye worm) hypothetical protein 0.0045 0.0325 0.0878
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.012 0.0048
Schistosoma mansoni hypothetical protein 0.0032 0.0189 0.0557
Schistosoma mansoni serine/threonine protein kinase 0.0198 0.1907 0.7844
Schistosoma mansoni ap endonuclease 0.0023 0.009 0.0138
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0117 0.0252
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.091 0.2458
Trypanosoma cruzi DNA polymerase eta, putative 0.0032 0.0185 0.0691
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.091 0.2458
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0117 0.0252
Leishmania major DNA polymerase eta, putative 0.0032 0.0185 0.0691
Loa Loa (eye worm) Smad1 0.0025 0.0117 0.0316
Brugia malayi ImpB/MucB/SamB family protein 0.0045 0.0325 0.0878
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0247 0.2416 1
Echinococcus multilocularis smad 0.0025 0.0117 0.006
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0117 0.006
Loa Loa (eye worm) MH2 domain-containing protein 0.0371 0.3703 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0189 0.0557
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0325 0.1446
Schistosoma mansoni DNA polymerase eta 0.0045 0.0325 0.1134
Trypanosoma cruzi polo-like protein kinase, putative 0.0198 0.1907 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.012 0.0335
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0117 0.0252
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0189 0.0557
Leishmania major DNA polymerase eta, putative 0.0045 0.0325 0.1446
Echinococcus granulosus Smad4 0.0025 0.0117 0.0252
Trichomonas vaginalis CAMK family protein kinase 0.0198 0.1907 1
Brugia malayi MH2 domain containing protein 0.0025 0.0117 0.0316
Echinococcus multilocularis dna polymerase eta 0.0045 0.0325 0.0269
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0247 0.2416 1
Trypanosoma brucei polo-like protein kinase 0.0198 0.1907 1
Leishmania major hypothetical protein, conserved 0.0026 0.012 0.0335
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0189 0.051
Echinococcus granulosus smad 0.0025 0.0117 0.0252
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0189 0.0132
Schistosoma mansoni ap endonuclease 0.0023 0.009 0.0138

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7519 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] 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
Potency (functional) 100 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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