Detailed information for compound 1450664

Basic information

Technical information
  • TDR Targets ID: 1450664
  • Name: 2-(2,1,3-benzothiadiazol-7-yloxy)acetic acid
  • MW: 210.21 | Formula: C8H6N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.51 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1cccc2c1nsn2
  • InChi: 1S/C8H6N2O3S/c11-7(12)4-13-6-3-1-2-5-8(6)10-14-9-5/h1-3H,4H2,(H,11,12)
  • InChiKey: ZIGWXPPBJHAPGN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-piazthiol-4-yloxyacetic acid
  • 2-(2,1,3-benzothiadiazol-7-yloxy)ethanoic acid
  • SMR000039041
  • BB_SC-0201
  • ST5002467
  • BAS 00413397
  • TimTec1_006954
  • Oprea1_602235
  • (Benzo[1,2,5]thiadiazol-4-yloxy)-acetic acid
  • Oprea1_443535
  • MLS000080746

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) TAR-binding protein 0.0982 0.9535 0.9535
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0043 0.0045
Brugia malayi Smad1 0.0034 0.0152 0.0152
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0082 0.0626 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0043 0.0043
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0626 1
Echinococcus multilocularis smad 0.0034 0.0152 0.0159
Brugia malayi Isocitrate dehydrogenase 0.0082 0.0626 0.0626
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0363 0.3405 0.3405
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0348 0.5553
Schistosoma mansoni smad 0.0034 0.0152 0.0159
Schistosoma mansoni hypothetical protein 0.0326 0.3036 0.3184
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0043 0.069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0538 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0516 0.0541
Echinococcus multilocularis muscleblind protein 1 0.018 0.1598 0.1676
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0516 0.0541
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0043 0.0045
Loa Loa (eye worm) isocitrate dehydrogenase 0.0082 0.0626 0.0626
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0538 0.0565
Echinococcus granulosus muscleblind protein 0.018 0.1598 0.1676
Brugia malayi isocitrate dehydrogenase 0.0082 0.0626 0.0626
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0043 0.069
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0626 0.0657
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0082 0.0626 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0326 0.3036 0.3184
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0982 0.9535 0.9535
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0043 0.069
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0538 1
Loa Loa (eye worm) hypothetical protein 0.0326 0.3036 0.3036
Brugia malayi N-terminal motif family protein 0.0363 0.3405 0.3405
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0043 0.069
Loa Loa (eye worm) latrophilin receptor protein 2 0.0326 0.3036 0.3036
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0538 0.0565
Schistosoma mansoni tar DNA-binding protein 0.0982 0.9535 1
Echinococcus granulosus tar DNA binding protein 0.0982 0.9535 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0538 0.0565
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0538 0.8493
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0082 0.0626 0.0657
Loa Loa (eye worm) Smad1 0.0034 0.0152 0.0152
Echinococcus granulosus GPCR family 2 0.0326 0.3036 0.3184
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0082 0.0626 0.0657
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Loa Loa (eye worm) hypothetical protein 0.018 0.1598 0.1598
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0348 0.0348
Schistosoma mansoni tar DNA-binding protein 0.0982 0.9535 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0326 0.3036 0.3036
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0538 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0043 0.069
Schistosoma mansoni hypothetical protein 0.0326 0.3036 0.3184
Schistosoma mansoni tar DNA-binding protein 0.0982 0.9535 1
Echinococcus granulosus smad 0.0034 0.0152 0.0159
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0326 0.3036 0.3184
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0043 0.5
Brugia malayi jmjC domain containing protein 0.0071 0.0516 0.0516
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0043 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0082 0.0626 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0516 0.0541
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.0152 0.0159
Schistosoma mansoni hypothetical protein 0.0703 0.6777 0.7107
Echinococcus granulosus dna polymerase eta 0.0054 0.0348 0.0365
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0326 0.3036 0.3184
Brugia malayi Muscleblind-like protein 0.018 0.1598 0.1598
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Brugia malayi MH2 domain containing protein 0.0034 0.0152 0.0152
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0348 0.5553
Giardia lamblia DINP protein human, muc B family 0.0023 0.0043 0.5
Brugia malayi MH1 domain containing protein 0.0034 0.0152 0.0152
Echinococcus multilocularis muscleblind protein 0.018 0.1598 0.1676
Loa Loa (eye worm) hypothetical protein 0.0054 0.0348 0.0348
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0043 0.0043
Schistosoma mansoni tar DNA-binding protein 0.0982 0.9535 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0326 0.3036 0.3184
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0189 0.3012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0326 0.3036 0.3184
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0626 0.0657
Trypanosoma brucei unspecified product 0.0023 0.0043 0.069
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0516 0.0541
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0082 0.0626 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.0152 0.0159
Brugia malayi TAR-binding protein 0.0982 0.9535 0.9535
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0082 0.0626 0.0657
Brugia malayi jmjC domain containing protein 0.0071 0.0516 0.0516
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.0152 0.0159
Brugia malayi RNA binding protein 0.0982 0.9535 0.9535
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0538 0.0565
Brugia malayi latrophilin 2 splice variant baaae 0.0703 0.6777 0.6777
Schistosoma mansoni tar DNA-binding protein 0.0982 0.9535 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0538 0.8597
Toxoplasma gondii isocitrate dehydrogenase 0.0082 0.0626 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Brugia malayi Latrophilin receptor protein 2 0.0326 0.3036 0.3036
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0189 0.3012
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0538 0.8597
Brugia malayi MH1 domain containing protein 0.0034 0.0152 0.0152
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0516 0.0541
Echinococcus granulosus Smad4 0.0034 0.0152 0.0159
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0516 0.0516
Schistosoma mansoni Smad4 0.0034 0.0152 0.0159
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0626 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0516 0.0541
Loa Loa (eye worm) hypothetical protein 0.0703 0.6777 0.6777
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0043 0.0045
Echinococcus multilocularis Smad4 0.0034 0.0152 0.0159
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.0152 0.0159
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0043 0.069
Brugia malayi MH2 domain containing protein 0.0503 0.4796 0.4796
Loa Loa (eye worm) transcription factor SMAD2 0.0503 0.4796 0.4796
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0516 0.0541
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0043 0.0045
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0082 0.0626 0.0657
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1029 1 1
Schistosoma mansoni smad1 5 8 and 0.0034 0.0152 0.0159
Echinococcus multilocularis dna polymerase eta 0.0054 0.0348 0.0365
Echinococcus multilocularis GPCR, family 2 0.0326 0.3036 0.3184
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0363 0.3405 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0982 0.9535 0.9535
Schistosoma mansoni smad1 5 8 and 0.0034 0.0152 0.0159
Loa Loa (eye worm) hypothetical protein 0.018 0.1598 0.1598
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0043 0.069
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0626 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0043 0.0045
Loa Loa (eye worm) MH2 domain-containing protein 0.0503 0.4796 0.4796
Schistosoma mansoni smad1 5 8 and 0.0034 0.0152 0.0159
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0082 0.0626 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0043 0.0045
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0043 0.069
Echinococcus multilocularis isocitrate dehydrogenase 0.0082 0.0626 0.0657
Leishmania major DNA polymerase eta, putative 0.0054 0.0348 0.5553
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Echinococcus multilocularis tar DNA binding protein 0.0982 0.9535 1
Loa Loa (eye worm) RNA binding protein 0.0982 0.9535 0.9535
Schistosoma mansoni hypothetical protein 0.0326 0.3036 0.3184
Schistosoma mansoni DNA polymerase eta 0.0054 0.0348 0.0365
Leishmania major DNA polymerase eta, putative 0.0038 0.0189 0.3012
Loa Loa (eye worm) hypothetical protein 0.1029 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0043 0.069
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0082 0.0626 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0043 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0043 0.069
Brugia malayi Calcitonin receptor-like protein seb-1 0.1029 1 1
Brugia malayi MH2 domain containing protein 0.0034 0.0152 0.0152
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.0152 0.0159

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Allosteric/Competitive Inhibitors of Caspase-1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 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: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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