Detailed information for compound 1198155

Basic information

Technical information
  • TDR Targets ID: 1198155
  • Name: N,N-diethyl-4-(8-methyl-[1,2,4]triazolo[5,4-b ][1,3]benzothiazol-1-yl)benzenesulfonamide
  • MW: 400.518 | Formula: C19H20N4O2S2
  • H donors: 0 H acceptors: 4 LogP: 4.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(cc1)c1nnc2n1c1c(C)cccc1s2)CC
  • InChi: 1S/C19H20N4O2S2/c1-4-22(5-2)27(24,25)15-11-9-14(10-12-15)18-20-21-19-23(18)17-13(3)7-6-8-16(17)26-19/h6-12H,4-5H2,1-3H3
  • InChiKey: PNLQEEOOYGAIBO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • MLS000117278
  • SMR000094228

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Bacillus anthracis Anthrax lethal factor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein 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
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans aldehyde dehydrogenase 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
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor 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
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Neospora caninum hypothetical protein 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
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Toxoplasma gondii aldehyde dehydrogenase 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
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial 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
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
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
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni aldehyde dehydrogenase 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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi TAR-binding protein 0.0125 0.4251 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0417 0.1053
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1178 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2301 0.3976
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1176 0.2032
Mycobacterium ulcerans hypothetical protein 0.0023 0.0417 0.1053
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1178 0.277
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1178 0.2035
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0417 0.0981
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2301 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2301 0.3976
Schistosoma mansoni hypothetical protein 0.0031 0.0714 0.1233
Brugia malayi beta-lactamase family protein 0.0043 0.1178 0.277
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4004 0.9418
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1178 0.277
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1232 0.2129
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1178 0.5
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0417 0.0981
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.046
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.2542 0.4392
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4251 0.7346
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0714 0.1233
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.2542 0.4392
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1178 0.2035
Loa Loa (eye worm) hypothetical protein 0.0031 0.0714 0.1678
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2542 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2301 1
Brugia malayi RNA binding protein 0.0125 0.4251 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1176 0.2032
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0417 0.1053
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1232 0.2129
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.2542 0.5979
Entamoeba histolytica hypothetical protein 0.0043 0.1176 0.3573
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1178 0.1034
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1178 0.4663
Onchocerca volvulus 0.0043 0.1178 1
Echinococcus granulosus geminin 0.0166 0.5788 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4251 0.7346
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1178 0.4663
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2301 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0714 0.1233
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.3248 0.7639
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2542 1
Mycobacterium ulcerans lipase LipD 0.0043 0.1178 0.4663
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.4251 1
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.0196 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2301 0.3976
Brugia malayi hypothetical protein 0.0043 0.1176 0.2767
Loa Loa (eye worm) hypothetical protein 0.0023 0.0417 0.0981
Mycobacterium tuberculosis Conserved protein 0.0043 0.1178 0.1034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1232 0.2129
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.046
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.1278 0.2208
Schistosoma mansoni hypothetical protein 0.0067 0.2075 0.3585
Trichomonas vaginalis esterase, putative 0.0043 0.1178 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0417 0.0981
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2301 0.8868
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1178 1
Echinococcus granulosus transcription factor Dp 1 0.0046 0.1278 0.2208
Echinococcus multilocularis GPCR, family 2 0.0031 0.0714 0.1233
Onchocerca volvulus 0.0043 0.1178 1
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1178 0.1034
Entamoeba histolytica hypothetical protein 0.0043 0.1176 0.3573
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.2542 1
Schistosoma mansoni hypothetical protein 0.0031 0.0714 0.1233
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1178 0.2035
Loa Loa (eye worm) hypothetical protein 0.0098 0.3248 0.7639
Brugia malayi beta-lactamase 0.0043 0.1178 0.277
Loa Loa (eye worm) beta-lactamase 0.0043 0.1178 0.277
Leishmania major hypothetical protein, conserved 0.0043 0.1178 0.3578
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1232 0.2129
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0196 0.0036
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1232 0.2898
Schistosoma mansoni hypothetical protein 0.0031 0.0714 0.1233
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0417 0.1053
Echinococcus multilocularis tar DNA binding protein 0.0125 0.4251 0.7346
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1178 0.1034
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0714 0.1233
Echinococcus multilocularis geminin 0.0166 0.5788 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0417 0.0262
Loa Loa (eye worm) hypothetical protein 0.0023 0.0417 0.0981
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1232 0.2898
Schistosoma mansoni hypothetical protein 0.0166 0.5788 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0714 0.1678
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1178 0.1034
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1178 0.2035
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2301 0.3976
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4251 0.7346
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.4251 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0417 0.0262
Mycobacterium leprae Probable lipase LipE 0.0043 0.1178 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1178 0.1034
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0417 0.1053
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1232 0.2129
Entamoeba histolytica hypothetical protein 0.0043 0.1176 0.3573
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4004 0.9418
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1232 0.2129
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2301 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0196 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4251 0.7346
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1178 0.5
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.2542 0.5979
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.2542 1
Schistosoma mansoni hypothetical protein 0.0043 0.1176 0.2032
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1178 0.5
Schistosoma mansoni hypothetical protein 0.0166 0.5788 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1178 0.1034
Loa Loa (eye worm) hypothetical protein 0.0017 0.0196 0.046
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.3248 0.7639
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.3248 0.7639
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0417 0.1053
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0417 0.0981
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1178 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.1178 0.1034
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0417 0.1053
Brugia malayi MH2 domain containing protein 0.0119 0.4004 0.9418
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Mycobacterium ulcerans beta-lactamase 0.0043 0.1178 0.4663
Entamoeba histolytica hypothetical protein 0.0043 0.1176 0.3573
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0714 0.1233
Mycobacterium ulcerans hypothetical protein 0.0043 0.1178 0.4663
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0714 0.1678
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1178 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1178 0.1034
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.2542 0.4392
Onchocerca volvulus 0.0023 0.0417 0.3543
Loa Loa (eye worm) hypothetical protein 0.0067 0.2075 0.488
Onchocerca volvulus 0.0043 0.1178 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.4251 1
Loa Loa (eye worm) TAR-binding protein 0.0125 0.4251 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1176 0.2032
Echinococcus granulosus tar DNA binding protein 0.0125 0.4251 0.7346
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0714 0.1678
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1232 0.2129
Brugia malayi beta-lactamase family protein 0.0043 0.1178 0.277
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4251 0.7346
Schistosoma mansoni hypothetical protein 0.0031 0.0714 0.1233
Echinococcus granulosus GPCR family 2 0.0031 0.0714 0.1233
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.2075 0.488
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0417 0.1053
Loa Loa (eye worm) hypothetical protein 0.0043 0.1178 0.277
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2301 0.2176
Mycobacterium tuberculosis Conserved protein 0.0043 0.1178 0.1034
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.2542 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response counterscreen assay for STAT3 activators: cell-based high throughput assay to measure STAT1 activation. (Class of assay: confirmatory) [Related pubchem assays: 1267, 871, 932, 1309, 1318 ] ChEMBL. No reference
IC50 (functional) > 55.7 um PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT3 activation. (Class of assay: confirmatory) [Related pubchem assays: 1267, 871, 932, 1309, 1318 ] ChEMBL. No reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 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 (binding) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 15.8489 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (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) = 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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 Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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) = 70.7946 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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