Detailed information for compound 1318242

Basic information

Technical information
  • TDR Targets ID: 1318242
  • Name: 3-[1-(3-phenylprop-2-ynyl)piperidin-1-ium-1-y l]propane-1-sulfonate
  • MW: 321.434 | Formula: C17H23NO3S
  • H donors: 1 H acceptors: 3 LogP: 2.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-]S(=O)(=O)CCC[N+]1(CCCCC1)CC#Cc1ccccc1
  • InChi: 1S/C17H23NO3S/c19-22(20,21)16-8-15-18(12-5-2-6-13-18)14-7-11-17-9-3-1-4-10-17/h1,3-4,9-10H,2,5-6,8,12-16H2
  • InChiKey: QRFKUHBGFDJVKE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[1-(3-phenylprop-2-ynyl)-1-piperidin-1-iumyl]propane-1-sulfonate
  • 3-[1-(3-phenylprop-2-ynyl)piperidinium-1-yl]propane-1-sulfonate
  • MLS000728220
  • SMR000306913
  • ZINC04524659
  • A2021/0084807

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear factor I 0.0029 0.0086 0.0037
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0392 0.2526 0.2489
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Echinococcus granulosus mothers against decapentaplegic 5 0.0052 0.0243 0.0783
Loa Loa (eye worm) hypothetical protein 0.0035 0.0129 0.008
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0034 0.0124 0.9234
Echinococcus multilocularis smad 0.0052 0.0243 0.0783
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0179 0.013
Brugia malayi MH2 domain containing protein 0.0052 0.0243 0.0243
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0219 0.0684
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.066 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0298 0.025
Brugia malayi MH1 domain containing protein 0.0029 0.0086 0.0086
Brugia malayi Bromodomain containing protein 0.0035 0.0129 0.0129
Onchocerca volvulus 0.0163 0.0989 0.8203
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0284 0.0284
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0183 0.0538
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0222 0.0697
Onchocerca volvulus 0.0058 0.0284 0.2051
Brugia malayi RNA recognition motif domain containing protein 0.0392 0.2526 0.2526
Brugia malayi RNA binding protein 0.0392 0.2526 0.2526
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0179 0.013
Loa Loa (eye worm) glutaminase 0.1503 1 1
Brugia malayi hypothetical protein 0.0043 0.0183 0.0183
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0179 0.0524
Schistosoma mansoni Smad4 0.0052 0.0243 0.0195
Giardia lamblia Kinase, PLK 0.0114 0.066 1
Schistosoma mansoni tar DNA-binding protein 0.0392 0.2526 0.2489
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Loa Loa (eye worm) hypothetical protein 0.0163 0.0989 0.0944
Schistosoma mansoni smad1 5 8 and 0.0052 0.0243 0.0195
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0129 0.0323
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0124 0.9234
Loa Loa (eye worm) hypothetical protein 0.0194 0.1195 0.1151
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0222 0.0697
Toxoplasma gondii isocitrate dehydrogenase 0.0034 0.0124 0.9234
Schistosoma mansoni glutaminase 0.1503 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0183 0.0538
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0219 0.0684
Loa Loa (eye worm) Smad1 0.0052 0.0243 0.0195
Trypanosoma brucei polo-like protein kinase 0.0114 0.066 1
Brugia malayi jmjC domain containing protein 0.0043 0.0179 0.0179
Mycobacterium ulcerans glutaminase 0.1503 1 0.5
Brugia malayi isocitrate dehydrogenase 0.0034 0.0124 0.0124
Plasmodium falciparum phd finger protein, putative 0.0035 0.0129 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0052 0.0243 0.0195
Brugia malayi hypothetical protein 0.0025 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0105 0.0597 0.055
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0129 1
Schistosoma mansoni tar DNA-binding protein 0.0392 0.2526 0.2489
Brugia malayi TAR-binding protein 0.0392 0.2526 0.2526
Schistosoma mansoni smad 0.0052 0.0243 0.0195
Loa Loa (eye worm) hypothetical protein 0.0153 0.0923 0.0878
Loa Loa (eye worm) RNA binding protein 0.0392 0.2526 0.2489
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0219 0.0219
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0124 0.1079
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0129 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0034 0.0124 0.9234
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1813 0.7121
Echinococcus granulosus geminin 0.0205 0.1269 0.4923
Echinococcus multilocularis tar DNA binding protein 0.0392 0.2526 1
Schistosoma mansoni hypothetical protein 0.0048 0.0219 0.017
Brugia malayi jmjC domain containing protein 0.0115 0.0668 0.0668
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0034 0.0124 0.0301
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1813 0.7121
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0052 0.0243 0.0783
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0124 0.1079
Echinococcus granulosus GPCR family 2 0.0048 0.0219 0.0684
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0052 0.0243 0.0195
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Trichomonas vaginalis glutaminase, putative 0.1503 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0059 0.001
Echinococcus multilocularis GPCR, family 2 0.0048 0.0219 0.0684
Loa Loa (eye worm) hypothetical protein 0.0048 0.0219 0.017
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0034 0.0124 0.1079
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0129 0.008
Echinococcus granulosus tar DNA binding protein 0.0392 0.2526 1
Brugia malayi MH2 domain containing protein 0.0766 0.5041 0.5041
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0124 0.0301
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0124 0.0301
Loa Loa (eye worm) glutaminase 2 0.1503 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0086 0.0037
Echinococcus granulosus Smad4 0.0052 0.0243 0.0783
Echinococcus granulosus TGF beta signal transducer SmadC 0.0052 0.0243 0.0783
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0194 0.1195 1
Brugia malayi MH1 domain containing protein 0.0052 0.0243 0.0243
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0129 1
Brugia malayi hypothetical protein 0.0286 0.1813 0.1813
Brugia malayi Calcitonin receptor-like protein seb-1 0.0153 0.0923 0.0923
Schistosoma mansoni kinase 0.0058 0.0282 0.0234
Brugia malayi Isocitrate dehydrogenase 0.0034 0.0124 0.0124
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0509 0.0462
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.066 0.0398
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0219 0.0219
Schistosoma mansoni hypothetical protein 0.0035 0.0129 0.008
Loa Loa (eye worm) isocitrate dehydrogenase 0.0034 0.0124 0.0075
Schistosoma mansoni tar DNA-binding protein 0.0392 0.2526 0.2489
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0153 0.0923 0.0878
Brugia malayi MH2 domain containing protein 0.0023 0.0049 0.0049
Schistosoma mansoni hypothetical protein 0.0058 0.0284 0.0236
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.066 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.066 0.0613
Brugia malayi MH2 domain containing protein 0.0052 0.0243 0.0243
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0034 0.0124 0.0075
Brugia malayi MH1 domain containing protein 0.0052 0.0243 0.0243
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0381 0.0334
Brugia malayi PHD-finger family protein 0.0035 0.0129 0.0129
Schistosoma mansoni hypothetical protein 0.0205 0.1269 0.1225
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0219 0.0684
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.066 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0668 0.2498
Echinococcus multilocularis Smad4 0.0052 0.0243 0.0783
Echinococcus multilocularis peregrin 0.0035 0.0129 0.0323
Echinococcus granulosus peregrin 0.0035 0.0129 0.0323
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0219 0.017
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.066 0.2464
Loa Loa (eye worm) hypothetical protein 0.0105 0.0597 0.055
Schistosoma mansoni hypothetical protein 0.0048 0.0219 0.017
Loa Loa (eye worm) hypothetical protein 0.0286 0.1813 0.1772
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0034 0.0124 0.0301
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.066 0.2464
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0179 0.013
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0034 0.0124 0.0301
Schistosoma mansoni tar DNA-binding protein 0.0392 0.2526 0.2489
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0034 0.0124 0.1079
Loa Loa (eye worm) MH2 domain-containing protein 0.0766 0.5041 0.5017
Brugia malayi MH1 domain containing protein 0.0029 0.0086 0.0086
Echinococcus granulosus smad 0.0052 0.0243 0.0783
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0129 0.0323
Schistosoma mansoni hypothetical protein 0.0048 0.0219 0.017
Schistosoma mansoni smad1 5 8 and 0.0052 0.0243 0.0195
Echinococcus multilocularis isocitrate dehydrogenase 0.0034 0.0124 0.0301
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.066 0.0613
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0183 0.0134
Loa Loa (eye worm) MH2 domain-containing protein 0.0052 0.0243 0.0195
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.066 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0153 0.0923 0.0923
Schistosoma mansoni hypothetical protein 0.0043 0.0183 0.0134
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0034 0.0124 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0052 0.0243 0.0783
Schistosoma mansoni smad1 5 8 and 0.0052 0.0243 0.0195
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.066 0.5329
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0219 0.0684
Loa Loa (eye worm) TAR-binding protein 0.0392 0.2526 0.2489
Schistosoma mansoni tar DNA-binding protein 0.0392 0.2526 0.2489
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0179 0.0524
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0034 0.0124 0.1079
Brugia malayi mothers against decapentaplegic homolog 3 0.0023 0.0049 0.0049
Brugia malayi hypothetical protein 0.0163 0.0989 0.0989
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0668 0.2498
Brugia malayi Smad1 0.0052 0.0243 0.0243
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0129 0.008
Loa Loa (eye worm) transcription factor SMAD2 0.0766 0.5041 0.5017
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.066 0.066
Brugia malayi N-terminal motif family protein 0.0194 0.1195 0.1195
Schistosoma mansoni hypothetical protein 0.0205 0.1269 0.1225
Schistosoma mansoni survival motor neuron protein 0.0058 0.0284 0.0236
Onchocerca volvulus Alhambra homolog 0.0035 0.0129 0.0698
Schistosoma mansoni hypothetical protein 0.0048 0.0219 0.017
Brugia malayi latrophilin 2 splice variant baaae 0.0105 0.0597 0.0597
Echinococcus multilocularis geminin 0.0205 0.1269 0.4923

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.7444 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 17.7828 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) = 100 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

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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