Detailed information for compound 1270083

Basic information

Technical information
  • TDR Targets ID: 1270083
  • Name: 3-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]sulf anyl-N-(3,4-dimethylphenyl)propanamide
  • MW: 397.451 | Formula: C19H19N5O3S
  • H donors: 1 H acceptors: 4 LogP: 3.42 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)C)C)CCSc1nnnn1c1ccc2c(c1)OCO2
  • InChi: 1S/C19H19N5O3S/c1-12-3-4-14(9-13(12)2)20-18(25)7-8-28-19-21-22-23-24(19)15-5-6-16-17(10-15)27-11-26-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,25)
  • InChiKey: HDIUBWIHROXLKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[1-(1,3-benzodioxol-5-yl)-5-tetrazolyl]thio]-N-(3,4-dimethylphenyl)propanamide
  • 3-[[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]thio]-N-(3,4-dimethylphenyl)propionamide
  • 3-[[1-(1,3-benzodioxol-5-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(3,4-dimethylphenyl)propanamide
  • ZINC04196042
  • 3-{[1-(1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]thio}-N-(3,4-dimethylphenyl)propanamide
  • MLS000050424
  • SMR000079696

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans 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
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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 infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma mansoni tar DNA-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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
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 mansoni aldehyde dehydrogenase 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum hypothetical protein 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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 berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Treponema pallidum exodeoxyribonuclease (exoA) 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
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium yoelii putative AP endonuclease-related 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 granulosus aldehyde dehydrogenase mitochondrial 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 Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0917 0.0814
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0137 0.5
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0917 0.0814
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0917 0.0814
Echinococcus granulosus tar DNA binding protein 0.0076 0.2156 0.2156
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1544 0.1544
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.0917
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0917 0.4103
Entamoeba histolytica hypothetical protein 0.0043 0.0915 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2156 1
Brugia malayi TAR-binding protein 0.0076 0.2156 0.2156
Schistosoma mansoni hypothetical protein 0.0041 0.0829 0.3848
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0917 0.4103
Entamoeba histolytica hypothetical protein 0.0043 0.0915 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0829 0.0829
Loa Loa (eye worm) hypothetical protein 0.006 0.1544 0.1544
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1544 0.1544
Mycobacterium leprae Probable lipase LipE 0.0043 0.0917 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Mycobacterium ulcerans lipase LipD 0.0043 0.0917 0.4103
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 0.9448
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0917 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0137 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0638
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.4253
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2156 0.2156
Mycobacterium tuberculosis Conserved protein 0.0158 0.5208 0.5298
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0917 1
Entamoeba histolytica hypothetical protein 0.0043 0.0915 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Toxoplasma gondii ABC1 family protein 0.0043 0.0917 0.4103
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1544 0.1544
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni hypothetical protein 0.0058 0.1471 0.6823
Mycobacterium ulcerans beta-lactamase 0.0043 0.0917 0.4103
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2156 0.2156
Schistosoma mansoni ap endonuclease 0.0023 0.0137 0.0638
Trichomonas vaginalis esterase, putative 0.0043 0.0917 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.0917
Schistosoma mansoni survival motor neuron protein 0.0058 0.1471 0.6823
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0917 0.0814
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2037 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2037 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0917 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.2156 0.2156
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2037 0.2037
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0137 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 1
Brugia malayi RNA binding protein 0.0076 0.2156 0.2156
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2037 0.9448
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0137 0.5
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0917 0.0814
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0917 0.0917
Mycobacterium ulcerans hypothetical protein 0.0043 0.0917 0.4103
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0917 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2037 0.1984
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Entamoeba histolytica hypothetical protein 0.0043 0.0915 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0137 0.0137
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0917 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2156 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0137 0.0137
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.4253
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.0917
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.9708 1
Schistosoma mansoni hypothetical protein 0.0043 0.0915 0.4247
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2037 0.2037
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2156 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0917 0.0917
Loa Loa (eye worm) beta-lactamase 0.0043 0.0917 0.0917
Onchocerca volvulus 0.0058 0.1471 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0917 0.0814
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2156 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2156 0.2156
Brugia malayi hypothetical protein 0.0043 0.0915 0.0915
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0915 0.4247
Mycobacterium tuberculosis Conserved protein 0.0043 0.0917 0.0814
Brugia malayi beta-lactamase 0.0043 0.0917 0.0917
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0915 0.0915
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0915 0.0915
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2156 0.2156
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0917 1
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0917 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2037 1
Leishmania major hypothetical protein, conserved 0.0043 0.0917 0.4103
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0917 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0917 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2156 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1471 0.1471
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0829 0.0829

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 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) 14.581 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) = 17.7828 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
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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) = 28.1838 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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 of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 63.0957 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

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.
 
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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