Detailed information for compound 1338793

Basic information

Technical information
  • TDR Targets ID: 1338793
  • Name: 3-morpholin-4-yl-5-(pyridin-4-ylmethylidene)- 2-sulfanylidene-1,3-thiazolidin-4-one
  • MW: 307.391 | Formula: C13H13N3O2S2
  • H donors: 0 H acceptors: 2 LogP: 1.77 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1S/C(=C\c2ccncc2)/C(=O)N1N1CCOCC1
  • InChi: 1S/C13H13N3O2S2/c17-12-11(9-10-1-3-14-4-2-10)20-13(19)16(12)15-5-7-18-8-6-15/h1-4,9H,5-8H2/b11-9-
  • InChiKey: PPMHZCJITGOGQO-LUAWRHEFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5Z)-3-morpholin-4-yl-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
  • 3-morpholino-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-4-one
  • (5Z)-3-morpholino-5-(4-pyridylmethylene)-2-thioxo-thiazolidin-4-one
  • (5Z)-3-morpholino-5-(4-pyridylmethylene)-2-thioxo-4-thiazolidinone
  • 3-morpholino-5-(4-pyridylmethylene)-2-thioxo-4-thiazolidinone
  • 3-Morpholin-4-yl-5-[1-pyridin-4-yl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-4-one
  • MLS000559845
  • SMR000438332

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1622 0.3741 0.3589
Trypanosoma brucei unspecified product 0.1066 0.2422 0.2232
Mycobacterium ulcerans acetyl-/propionyl-CoA carboxylase subunit beta 0.0577 0.126 0.2905
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1622 0.3741 0.5922
Toxoplasma gondii acetyl-coA carboxylase ACC2 0.4258 1 1
Echinococcus multilocularis propionyl coenzyme A carboxylase beta chain 0.0577 0.126 0.126
Echinococcus multilocularis propionyl coenzyme A carboxylase alpha chain 0.1622 0.3741 0.3741
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0299 0.0449
Schistosoma mansoni methylcrotonyl-CoA carboxylase 0.1622 0.3741 0.3589
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.0299 0.0158
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0299 0.0449
Trypanosoma cruzi glutamine dependent carbamoyl-phosphate synthase, putative 0.0367 0.076 0.0874
Mycobacterium tuberculosis Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6 0.0577 0.126 0.3115
Schistosoma mansoni aspartate carbamoyltransferase 0.0367 0.076 0.0536
Leishmania major carboxylase, putative 0.1622 0.3741 0.3584
Leishmania major 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0577 0.126 0.1041
Mycobacterium ulcerans acetyl/propionyl CoA carboxylase subunit beta 0.0577 0.126 0.2905
Echinococcus multilocularis dihydrolipoyllysine residue succinyltransferase 0.0149 0.0244 0.0244
Mycobacterium tuberculosis Probable pyruvate carboxylase Pca (pyruvic carboxylase) 0.1622 0.3741 1
Trypanosoma cruzi 3-methylcrotonyl-CoA carboxylase, putative 0.1622 0.3741 0.5922
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1 0.1622 0.3741 1
Leishmania major propionyl-coa carboxylase beta chain, putative 0.0577 0.126 0.1041
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0367 0.076 0.0536
Mycobacterium leprae Probable biotinylated protein homolog TB7.3 0.0149 0.0244 0.0296
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0367 0.076 0.1476
Mycobacterium ulcerans acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3 0.0577 0.126 0.2905
Toxoplasma gondii acetyl-CoA carboxylase ACC1 0.4258 1 1
Plasmodium vivax biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3082 0.7206 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Plasmodium falciparum carbamoyl phosphate synthetase 0.0367 0.076 0.0742
Trypanosoma brucei glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative 0.0367 0.076 0.0529
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1622 0.3741 0.3584
Mycobacterium leprae Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE) 0.0577 0.126 0.3115
Mycobacterium ulcerans pyruvate carboxylase 0.1622 0.3741 1
Trypanosoma cruzi acetyl-CoA carboxylase 0.2636 0.6149 1
Mycobacterium ulcerans bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3 0.1622 0.3741 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Brugia malayi Carboxyl transferase domain containing protein 0.4109 0.9646 1
Echinococcus granulosus propionyl coenzyme A carboxylase alpha chain 0.1622 0.3741 0.3741
Toxoplasma gondii acyl-CoA carboxyltransferase beta chain, putative 0.0577 0.126 0.1041
Leishmania major acetyl-CoA carboxylase, putative 0.4258 1 1
Schistosoma mansoni pyruvate carboxylase 0.1622 0.3741 0.3589
Mycobacterium tuberculosis Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase) 0.0577 0.126 0.3115
Mycobacterium leprae Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase) 0.0577 0.126 0.3115
Echinococcus multilocularis acetyl coenzyme A carboxylase 1 0.4258 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.0728 1
Schistosoma mansoni dihydrolipoamide S-acetyltransferase 0.0149 0.0244 0.0007
Trypanosoma cruzi acetyl-CoA carboxylase, putative 0.0577 0.126 0.172
Mycobacterium tuberculosis DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase 0.0149 0.0244 0.0296
Leishmania major carbamoyl-phosphate synthase, putative 0.0367 0.076 0.0529
Mycobacterium leprae Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB 0.0149 0.0244 0.0296
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0577 0.126 0.172
Schistosoma mansoni dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase 0.0149 0.0244 0.0007
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0165 0.0077
Toxoplasma gondii pyruvate carboxylase 0.1622 0.3741 0.3584
Mycobacterium leprae Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP) 0.1622 0.3741 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Chlamydia trachomatis biotin carboxylase 0.1473 0.3387 1
Echinococcus granulosus Biotin lipoyl attachment 0.0149 0.0244 0.0244
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4_2 0.0577 0.126 0.2905
Mycobacterium tuberculosis Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie 0.1622 0.3741 1
Wolbachia endosymbiont of Brugia malayi Acetyl/propionyl-CoA carboxylase, alpha subunit 0.1622 0.3741 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0165 0.0077
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Echinococcus multilocularis dihydrolipoyllysine residue acetyltransferase 0.0149 0.0244 0.0244
Schistosoma mansoni carbamoyl-phosphate synthetase 0.0367 0.076 0.0536
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Trypanosoma cruzi 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0577 0.126 0.172
Schistosoma mansoni propionyl-CoA carboxylase beta chain mitochondrial precursor 0.0577 0.126 0.1048
Giardia lamblia Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative 0.0726 0.1614 1
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0149 0.0244 0.0007
Mycobacterium tuberculosis Probable branched-chain keto acid dehydrogenase E2 component BkdC 0.0149 0.0244 0.0296
Trypanosoma brucei acetyl-CoA carboxylase 0.4258 1 1
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 4 AccD4 0.0577 0.126 0.2905
Trypanosoma brucei 3-methylcrotonoyl-CoA carboxylase beta subunit, putative 0.0577 0.126 0.1041
Trypanosoma brucei 3-methylcrotonyl-CoA carboxylase alpha subunit, putative 0.1622 0.3741 0.3584
Mycobacterium leprae ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6 0.0577 0.126 0.3115
Echinococcus granulosus dihydrolipoyllysine residue acetyltransferase 0.0149 0.0244 0.0244
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0367 0.076 0.0742
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Mycobacterium ulcerans propionyl-CoA carboxylase beta chain 5 AccD5 0.0577 0.126 0.2905
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Echinococcus multilocularis Biotin lipoyl attachment 0.0149 0.0244 0.0244
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0165 0.0077
Mycobacterium ulcerans acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2 0.1622 0.3741 1
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0367 0.076 0.1476
Chlamydia trachomatis acetyl-coenzyme A carboxylase carboxyl transferase subunit beta 0.0577 0.126 0.3233
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0165 0.0077
Mycobacterium tuberculosis Biotinylated protein TB7.3 0.0149 0.0244 0.0296
Schistosoma mansoni dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase 0.0149 0.0244 0.0007
Entamoeba histolytica acetyl-coA carboxylase, putative 0.0726 0.1614 1
Echinococcus granulosus propionyl coenzyme A carboxylase beta chain 0.0577 0.126 0.126
Schistosoma mansoni acetyl-CoA carboxylase 0.4258 1 1
Plasmodium falciparum biotin carboxylase subunit of acetyl CoA carboxylase, putative 0.3082 0.7206 1
Leishmania major methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein 0.1622 0.3741 0.3584
Loa Loa (eye worm) carboxyl transferase domain-containing protein 0.4109 0.9646 1
Echinococcus granulosus dihydrolipoyllysine residue succinyltransferase 0.0149 0.0244 0.0244
Wolbachia endosymbiont of Brugia malayi Acetyl-CoA carboxylase, carboxyltransferase component 0.0577 0.126 0.2905
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.0728 0.5
Trypanosoma cruzi glutamine-dependent carbamoyl-phosphate synthetase, putative 0.0367 0.076 0.0874
Toxoplasma gondii carbamoylphosphate synthetase 0.0367 0.076 0.0529

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 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) 0.9466 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 15.8114 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.7781 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) = 25.1189 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] 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 for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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