Detailed information for compound 1329324

Basic information

Technical information
  • TDR Targets ID: 1329324
  • Name: ethyl 2-[2-oxo-3-[4-oxo-3-(pyridine-3-carbony lamino)-2-sulfanylidene-1,3-thiazolidin-5-yli dene]indol-1-yl]acetate
  • MW: 468.506 | Formula: C21H16N4O5S2
  • H donors: 1 H acceptors: 5 LogP: 2.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CN1C(=O)/C(=C/2\SC(=S)N(C2=O)NC(=O)c2cccnc2)/c2c1cccc2
  • InChi: 1S/C21H16N4O5S2/c1-2-30-15(26)11-24-14-8-4-3-7-13(14)16(19(24)28)17-20(29)25(21(31)32-17)23-18(27)12-6-5-9-22-10-12/h3-10H,2,11H2,1H3,(H,23,27)/b17-16-
  • InChiKey: KYKRDWMFIVDTJX-MSUUIHNZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetate
  • ethyl 2-[2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetate
  • ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridine-3-carbonylamino)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetate
  • 2-[(3Z)-2-oxo-3-[4-oxo-3-[[oxo-(3-pyridyl)methyl]amino]-2-thioxo-5-thiazolidinylidene]-1-indolinyl]acetic acid ethyl ester
  • 2-[2-oxo-3-[4-oxo-3-[[oxo-(3-pyridyl)methyl]amino]-2-thioxo-5-thiazolidinylidene]-1-indolinyl]acetic acid ethyl ester
  • 2-[(3Z)-2-keto-3-[4-keto-3-(pyridine-3-carbonylamino)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetic acid ethyl ester
  • 2-[2-keto-3-[4-keto-3-(pyridine-3-carbonylamino)-2-thioxo-thiazolidin-5-ylidene]indolin-1-yl]acetic acid ethyl ester
  • ethyl 2-[(3Z)-2-oxo-3-[4-oxo-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoate
  • ethyl 2-[2-oxo-3-[4-oxo-3-(pyridin-3-ylcarbonylamino)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]ethanoate
  • A2195/0092331
  • ChemDiv1_002049
  • ZINC01891859
  • BAS 00909198
  • Oprea1_673868

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Mus musculus alkaline phosphatase 3, intestine, not Mn requiring Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum ko:K01077 alkaline phosphatase [EC3.1.3.1], putative Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Echinococcus granulosus alkaline phosphatase intestinal gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Candida albicans alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans vacuolar alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni hypothetical protein Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus multilocularis intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma japonicum Alkaline phosphatase, tissue-nonspecific isozyme precursor, putative Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus intestinal type alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Schistosoma mansoni alkaline phosphatase Get druggable targets OG5_126976 All targets in OG5_126976
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 Get druggable targets OG5_126976 All targets in OG5_126976
Echinococcus granulosus intestinal type alkaline phosphatase 1 Get druggable targets OG5_126976 All targets in OG5_126976
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Probable ClpP-like protease 0.008 0.0021 0.0021
Schistosoma mansoni glutaminase 0.033 0.1873 0.1856
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1427 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0115 0.0277 0.0256
Echinococcus multilocularis intestinal type alkaline phosphatase 1 0.0196 0.0883 0.0863
Schistosoma mansoni hypothetical protein 0.0423 0.2559 0.2543
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1336 0.9325 0.9325
Brugia malayi MH2 domain containing protein 0.0091 0.0101 0.0101
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.0277 1
Loa Loa (eye worm) glutaminase 2 0.033 0.1873 0.1873
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2043 0.5
Echinococcus granulosus intestinal type alkaline phosphatase 0.0196 0.0883 0.0863
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0021 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0091 0.0101 0.008
Brugia malayi RNA recognition motif domain containing protein 0.1427 1 1
Loa Loa (eye worm) hypothetical protein 0.0423 0.2559 0.2559
Loa Loa (eye worm) Smad1 0.0091 0.0101 0.0101
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0021 0.0774
Echinococcus multilocularis GPCR, family 2 0.0423 0.2559 0.2543
Brugia malayi MH2 domain containing protein 0.0091 0.0101 0.0101
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1336 0.9325 0.9325
Echinococcus multilocularis Smad4 0.0091 0.0101 0.008
Brugia malayi MH1 domain containing protein 0.0091 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.1336 0.9325 0.9325
Echinococcus granulosus mothers against decapentaplegic 5 0.0091 0.0101 0.008
Loa Loa (eye worm) transcription factor SMAD2 0.1334 0.9308 0.9308
Echinococcus multilocularis tar DNA binding protein 0.1427 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0423 0.2559 0.2543
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.008 0.0021 0.0774
Loa Loa (eye worm) hypothetical protein 0.008 0.0021 0.0021
Brugia malayi Latrophilin receptor protein 2 0.0423 0.2559 0.2559
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0705 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.008 0.0021 0.0774
Schistosoma mansoni tar DNA-binding protein 0.1427 1 1
Echinococcus granulosus GPCR family 2 0.0423 0.2559 0.2543
Schistosoma mansoni smad1 5 8 and 0.0091 0.0101 0.008
Echinococcus multilocularis intestinal type alkaline phosphatase 0.0196 0.0883 0.0863
Loa Loa (eye worm) MH2 domain-containing protein 0.1334 0.9308 0.9308
Loa Loa (eye worm) RNA binding protein 0.1427 1 1
Mycobacterium ulcerans glutaminase 0.033 0.1873 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0705 0.3691
Brugia malayi Smad1 0.0091 0.0101 0.0101
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0115 0.0277 0.0256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0115 0.0277 0.0277
Brugia malayi Isocitrate dehydrogenase 0.0115 0.0277 0.0277
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0423 0.2559 0.2559
Echinococcus granulosus intestinal type alkaline phosphatase 1 0.0196 0.0883 0.0863
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.0277 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.0277 0.0256
Schistosoma mansoni alkaline phosphatase 0.0196 0.0883 0.0863
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0115 0.0277 0.0256
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.008 0.0021 0.5
Schistosoma mansoni eyes absent homolog 0.0106 0.0216 0.0195
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0423 0.2559 0.2543
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0115 0.0277 1
Brugia malayi latrophilin 2 splice variant baaae 0.0913 0.6194 0.6194
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.008 0.0021 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0115 0.0277 1
Schistosoma mansoni hypothetical protein 0.0102 0.0184 0.0163
Schistosoma mansoni Smad4 0.0091 0.0101 0.008
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.0277 0.0256
Loa Loa (eye worm) hypothetical protein 0.0106 0.0216 0.0216
Echinococcus multilocularis mothers against decapentaplegic 5 0.0091 0.0101 0.008
Loa Loa (eye worm) hypothetical protein 0.0106 0.0216 0.0216
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.0277 0.0256
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.0277 1
Echinococcus granulosus alkaline phosphatase intestinal gene 2 0.0196 0.0883 0.0863
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.2043 0.5
Schistosoma mansoni hypothetical protein 0.0423 0.2559 0.2543
Echinococcus granulosus alkaline phosphatase 0.0196 0.0883 0.0863
Loa Loa (eye worm) TAR-binding protein 0.1427 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0423 0.2559 0.2543
Schistosoma mansoni tar DNA-binding protein 0.1427 1 1
Brugia malayi glutaminase DH11.1 0.033 0.1873 0.1873
Brugia malayi isocitrate dehydrogenase 0.0115 0.0277 0.0277
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0115 0.0277 1
Schistosoma mansoni smad1 5 8 and 0.0091 0.0101 0.008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Echinococcus granulosus tar DNA binding protein 0.1427 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0423 0.2559 0.2543
Schistosoma mansoni smad 0.0091 0.0101 0.008
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0091 0.0101 0.008
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Schistosoma mansoni tar DNA-binding protein 0.1427 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2043 0.5
Brugia malayi TAR-binding protein 0.1427 1 1
Echinococcus multilocularis alkaline phosphatase 0.0196 0.0883 0.0863
Echinococcus granulosus smad 0.0091 0.0101 0.008
Toxoplasma gondii isocitrate dehydrogenase 0.0115 0.0277 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0115 0.0277 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0091 0.0101 0.0101
Brugia malayi Calcitonin receptor-like protein seb-1 0.1336 0.9325 0.9325
Schistosoma mansoni hypothetical protein 0.0913 0.6194 0.6185
Schistosoma mansoni tar DNA-binding protein 0.1427 1 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0091 0.0101 0.008
Loa Loa (eye worm) MH1 domain-containing protein 0.0091 0.0101 0.0101
Echinococcus multilocularis alkaline phosphatase, intestinal, gene 2 0.0196 0.0883 0.0863
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.008 0.0021 0.0774
Echinococcus granulosus Smad4 0.0091 0.0101 0.008
Schistosoma mansoni hypothetical protein 0.0423 0.2559 0.2543
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Brugia malayi hypothetical protein 0.0106 0.0216 0.0216
Loa Loa (eye worm) hypothetical protein 0.0913 0.6194 0.6194
Schistosoma mansoni alkaline phosphatase 0.0196 0.0883 0.0863
Echinococcus multilocularis smad 0.0091 0.0101 0.008
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.2043 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0115 0.0277 1
Schistosoma mansoni hypothetical protein 0.0423 0.2559 0.2543
Brugia malayi MH2 domain containing protein 0.1334 0.9308 0.9308
Schistosoma mansoni tar DNA-binding protein 0.1427 1 1
Loa Loa (eye worm) glutaminase 0.033 0.1873 0.1873
Echinococcus multilocularis isocitrate dehydrogenase 0.0115 0.0277 0.0256
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2043 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0705 1
Schistosoma mansoni smad1 5 8 and 0.0091 0.0101 0.008
Brugia malayi MH1 domain containing protein 0.0091 0.0101 0.0101
Loa Loa (eye worm) latrophilin receptor protein 2 0.0423 0.2559 0.2559

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 25.5 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Human Intestinal Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2805, AID2817] ChEMBL. No reference
EC50 (functional) = 35.1 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS activators of Mouse Intestinal Alkaline Phosphatase using Placental Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2805, AID2817] ChEMBL. No reference
IC50 (functional) = 11.2 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule inhibitors of mouse intestinal alkaline phosphatase via a luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2806, AID2818] ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response secondary confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay using Cy5 labeled peptide. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 66 uM PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetylation inhibitors by fluorescence polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS inhibitors of Mouse Intestinal Alkaline Phosphatase using Tissue Nonspecific Alkaline Phosphatase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2806, AID2818] ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Giardia lamblia growth inhibition. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.0148 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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
Potency (functional) 89.1251 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 Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Coupling assay counterscreen confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ] 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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