Detailed information for compound 1352528

Basic information

Technical information
  • TDR Targets ID: 1352528
  • Name: 5-cycloheptylidene-2-sulfanylidene-1,3-thiazo lidin-4-one
  • MW: 227.346 | Formula: C10H13NOS2
  • H donors: 1 H acceptors: 1 LogP: 3.25 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)C(=C2CCCCCC2)S1
  • InChi: 1S/C10H13NOS2/c12-9-8(14-10(13)11-9)7-5-3-1-2-4-6-7/h1-6H2,(H,11,12,13)
  • InChiKey: LBNZBMZVSDLBMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-cycloheptylidene-2-thioxo-thiazolidin-4-one
  • 5-cycloheptylidene-2-thioxo-4-thiazolidinone
  • ZINC02313243
  • STK072517
  • MLS000039100
  • SMR000037278

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Saccharomyces cerevisiae protein transporter TIM10 Starlite/ChEMBL No references
Saccharomyces cerevisiae protein transporter TIM23 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Loa Loa (eye worm) transport to inner mitochondrial membrane family member Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Babesia bovis mitochondrial import inner membrane protein, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii TIM10 family protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus multilocularis expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 Get druggable targets OG5_128839 All targets in OG5_128839
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus expressed protein Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Neospora caninum Tim10/DDP family zinc finger containing protein, putative Get druggable targets OG5_128839 All targets in OG5_128839
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans protein trans. across mito. Intermembrane space Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Theileria parva mitochondrial import inner membrane translocase, putative Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Plasmodium knowlesi mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Candida albicans import of proteins into mitochondrial matrix Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Babesia bovis mitochondrial transport complex Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium yoelii small zinc finger-like protein-related Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium berghei mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi hypothetical protein Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 Get druggable targets OG5_128839 All targets in OG5_128839
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum mitochondrial import inner membrane translocase subunit tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Schistosoma japonicum Mitochondrial import inner membrane translocase subunit Tim10, putative Get druggable targets OG5_128839 All targets in OG5_128839
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative Get druggable targets OG5_128152 All targets in OG5_128152
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein Get druggable targets OG5_128152 All targets in OG5_128152
Leishmania donovani 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
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5122 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.4894 0.9524
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4894 0.5
Brugia malayi RNA binding protein 0.0076 0.5122 0.5122
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4894 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0049 0.3137 0.5868
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5122 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.359 0.6812
Brugia malayi hypothetical protein 0.0044 0.2794 0.2794
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4894 0.9524
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0049 0.3137 0.3137
Loa Loa (eye worm) hypothetical protein 0.0049 0.3137 0.3137
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.4894 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.274 0.5043
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.4894 0.5
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0058 0.3764 0.3764
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.4894 0.5
Loa Loa (eye worm) Smad1 0.001 0.0316 0.0316
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.359 0.6812
Echinococcus granulosus tar DNA binding protein 0.0076 0.5122 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.274 0.5043
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5122 1
Entamoeba histolytica hypothetical protein 0.0043 0.274 0.5
Brugia malayi TAR-binding protein 0.0076 0.5122 0.5122
Brugia malayi MH1 domain containing protein 0.001 0.0316 0.0316
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.4894 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.359 0.359
Entamoeba histolytica hypothetical protein 0.0043 0.274 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.5122 0.5122
Brugia malayi hypothetical protein 0.0044 0.2794 0.2794
Entamoeba histolytica hypothetical protein 0.0043 0.274 0.5
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0316 0.0316
Echinococcus multilocularis tar DNA binding protein 0.0076 0.5122 1
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.3764 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.359 0.6812
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.274 0.5043
Brugia malayi MH2 domain containing protein 0.001 0.0316 0.0316
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.359 0.6812
Toxoplasma gondii TIM10 family protein, putative 0.0058 0.3764 0.3572
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.5122 0.5122
Echinococcus granulosus expressed protein 0.0058 0.3764 0.7174
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.3764 0.3572
Brugia malayi hypothetical protein 0.0043 0.274 0.274
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.359 0.6812
Loa Loa (eye worm) TAR-binding protein 0.0076 0.5122 0.5122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.359 0.6812
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0049 0.3137 0.3137
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0049 0.3137 0.3137
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.4894 0.9524
Schistosoma mansoni hypothetical protein 0.0043 0.274 0.5043
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0049 0.3137 0.5868
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0058 0.3764 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.359 0.359
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.5122 0.5122
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0058 0.3764 0.3764
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.4894 0.9524
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5122 1
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0058 0.3764 0.7174
Entamoeba histolytica hypothetical protein 0.0043 0.274 0.5
Brugia malayi Smad1 0.001 0.0316 0.0316
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.359 0.6812
Schistosoma mansoni tar DNA-binding protein 0.0076 0.5122 1
Echinococcus multilocularis expressed protein 0.0058 0.3764 0.7174
Brugia malayi MH1 domain containing protein 0.001 0.0316 0.0316
Brugia malayi MH2 domain containing protein 0.001 0.0316 0.0316

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 7.78 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1 yeast via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463212, AID463216, AID504657, AID504672] ChEMBL. No reference
IC50 (functional) = 14.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors of tim23-1: a luminescent TIM10 yeast counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463212, AID463216, AID493002] ChEMBL. No reference
Potency (functional) 0.3548 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) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 3.2643 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) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 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) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 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) 21.1923 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 (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.1313 uM PUBCHEM_BIOASSAY: qHTS for antagonists of the Thyroid Stimulation Hormone Receptor: Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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