Detailed information for compound 1451286

Basic information

Technical information
  • TDR Targets ID: 1451286
  • Name: 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-( furan-2-carbonyl)-3-hydroxy-5-(3-methoxypheny l)-5H-pyrrol-2-one
  • MW: 443.496 | Formula: C20H17N3O5S2
  • H donors: 1 H acceptors: 5 LogP: 3.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nnc(s1)N1C(c2cccc(c2)OC)C(=C(C1=O)O)C(=O)c1ccco1
  • InChi: 1S/C20H17N3O5S2/c1-3-29-20-22-21-19(30-20)23-15(11-6-4-7-12(10-11)27-2)14(17(25)18(23)26)16(24)13-8-5-9-28-13/h4-10,15,25H,3H2,1-2H3
  • InChiKey: LJUSDCYZVDOTMT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(2-furyl-oxomethyl)-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one
  • 1-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-4-(furan-2-carbonyl)-3-hydroxy-5-(3-methoxyphenyl)-3-pyrrolin-2-one
  • 1-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-furan-2-ylcarbonyl-3-hydroxy-5-(3-methoxyphenyl)-5H-pyrrol-2-one
  • STOCK5S-62643

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens relaxin/insulin-like family peptide receptor 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0642 0.0459
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.4672 0.4568
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.2227 0.2227
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0004 0.0052 0.0052
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.8762 0.8738
Schistosoma mansoni cpg binding protein 0.0037 0.299 0.2961
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Entamoeba histolytica hypothetical protein 0.0028 0.2227 0.2196
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0629 0.0446
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.045 0.0264
Trichomonas vaginalis helicase, putative 0.0008 0.0382 0.0382
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4784 0.4784
Onchocerca volvulus 0.0035 0.2811 0.267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4672 0.4651
Echinococcus multilocularis cpg binding protein 0.0037 0.299 0.2853
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4672 0.4568
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.562 1
Loa Loa (eye worm) hypothetical protein 0.01 0.8762 0.8738
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0121 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4672 0.4568
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.045 0.0264
Trichomonas vaginalis conserved hypothetical protein 0.0004 0.0052 0.0052
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0028 0.2227 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0642 0.0459
Giardia lamblia Kinase, PLK 0.0114 1 0.5
Trypanosoma brucei polo-like protein kinase 0.0114 1 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0192 0.0152
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0192 0.0152
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0028 0.2227 0.5
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.2227 1
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.2227 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.8762 0.8757
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.6332 0.6317
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.2227 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0382 0.0382
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.8762 0.8738
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.4784 0.4784
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 1 1
Schistosoma mansoni hypothetical protein 0.0006 0.0192 0.0152
Mycobacterium leprae conserved hypothetical protein 0.0028 0.2227 0.5
Onchocerca volvulus 0.01 0.8762 0.8738
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4672 0.4651
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.2227 0.5
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.2227 0.5
Schistosoma mansoni cpg binding protein 0.0037 0.299 0.2961
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0382 0.0382
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.4672 0.4568
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.045 0.0411
Schistosoma mansoni hypothetical protein 0.0006 0.0192 0.0152
Echinococcus granulosus cpg binding protein 0.0037 0.299 0.2853
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.4672 0.4568
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.8762 0.8738
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.045 0.0264
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0642 0.0459
Trichomonas vaginalis CAMK family protein kinase 0.0114 1 1
Trichomonas vaginalis hypothetical protein 0.0004 0.0052 0.0052
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.4672 0.4568
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.2227 0.5
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2811 0.267
Schistosoma mansoni serine/threonine protein kinase 0.0114 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 1 1
Schistosoma mansoni low-density lipoprotein receptor (ldl) 0.0006 0.0192 0.0152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.4672 0.4651
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0006 0.0192 0.0152
Schistosoma mansoni cpg binding protein 0.0035 0.2811 0.2781
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0382 0.0382
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0382 0.0382
Schistosoma mansoni kinase 0.0058 0.492 0.4899
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.045 0.0264
Brugia malayi CXXC zinc finger family protein 0.0035 0.2811 0.267

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
EC50 (functional) > 99 uM PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activators via a fluorescence-based single-stranded RNase assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504720, AID504743] ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.122 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.9728 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 (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 28.1838 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
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) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 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) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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