Detailed information for compound 1404246

Basic information

Technical information
  • TDR Targets ID: 1404246
  • Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyphe nyl)thiourea
  • MW: 330.401 | Formula: C17H18N2O3S
  • H donors: 1 H acceptors: 0 LogP: 3.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=NCc1ccc2c(c1)OCO2)S
  • InChi: 1S/C17H18N2O3S/c1-2-20-14-6-4-13(5-7-14)19-17(23)18-10-12-3-8-15-16(9-12)22-11-21-15/h3-9H,2,10-11H2,1H3,(H2,18,19,23)
  • InChiKey: NNOCSHHVOSQQFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-Benzo[1,3]dioxol-5-ylmethyl-3-(4-ethoxy-phenyl)-thiourea
  • MLS000767584
  • SMR000429914
  • ZINC00547664
  • STK091903

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Toxoplasma gondii thioredoxin 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Brugia malayi 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
Babesia bovis thiodoxin 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
Plasmodium falciparum thioredoxin reductase 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 berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
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 set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase 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
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
Plasmodium vivax glutathione 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
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase 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
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase 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
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
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 major 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 vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0083 0.1979 0.1877
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0673 1
Echinococcus multilocularis neuropeptide s receptor 0.0093 0.2318 0.2266
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus neuropeptides capa receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0093 0.2318 0.2266
Echinococcus multilocularis fmrfamide receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0249 0.7761 0.849
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0093 0.2318 0.2553
Schistosoma mansoni neuropeptide F-like receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0038 0.0402 0.193
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0337 0.0337
Brugia malayi RE15519p 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2711 0.8508
Schistosoma mansoni alpha-1 adrenergic receptor 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Onchocerca volvulus Neuropeptide F receptor homolog 0.0093 0.2318 0.2275
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Brugia malayi follicle stimulating hormone receptor 0.0093 0.2318 0.2553
Trichomonas vaginalis set domain proteins, putative 0.0286 0.9046 1
Echinococcus granulosus serotonin receptor 0.0093 0.2318 0.2553
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0057 0.106 0.106
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0038 0.0402 0.0443
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0093 0.2318 0.2318
Echinococcus granulosus geminin 0.0205 0.621 0.6838
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0057 0.106 0.1167
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0093 0.2318 0.2266
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0038 0.0402 0.0074
Echinococcus multilocularis voltage gated potassium channel 0.0083 0.1979 0.1877
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0093 0.2318 0.2266
Echinococcus multilocularis neuropeptides capa receptor 0.0093 0.2318 0.2266
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis neuropeptide Y receptor 0.0093 0.2318 0.2266
Onchocerca volvulus 0.0093 0.2318 0.2275
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0287 0.9081 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0673 0.0384
Echinococcus multilocularis g protein coupled receptor 0.0093 0.2318 0.2266
Treponema pallidum catabolite gene activator (Crp) 0.0038 0.0402 0.5
Echinococcus granulosus orexin receptor type 2 0.0093 0.2318 0.2553
Echinococcus multilocularis fmrfamide receptor 0.0093 0.2318 0.2266
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0093 0.2318 0.2553
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0038 0.0402 0.193
Echinococcus granulosus patatin phospholipase domain containing protein 0.0038 0.0402 0.0443
Schistosoma mansoni hypothetical protein 0.0093 0.2318 0.2318
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Schistosoma mansoni 60S ribosomal protein L21 0.0045 0.0658 0.0658
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0038 0.0402 0.0402
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0093 0.2318 0.2553
Brugia malayi putative neuropeptide receptor NPR1 0.0093 0.2318 0.2553
Echinococcus multilocularis g-protein coupled receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0093 0.2318 0.2266
Onchocerca volvulus 0.0093 0.2318 0.2275
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis neuropeptide receptor 0.0093 0.2318 0.2266
Onchocerca volvulus 0.0093 0.2318 0.2275
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus hyperpolarization activated cyclic 0.0057 0.106 0.1167
Echinococcus granulosus cGMP dependent protein kinase 1 0.0038 0.0402 0.0443
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus somatostatin receptor 0.0093 0.2318 0.2553
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0093 0.2318 0.2318
Onchocerca volvulus 0.0093 0.2318 0.2275
Brugia malayi neuropeptide F receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis hyperpolarization activated cyclic 0.0057 0.106 0.0827
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Brugia malayi larval opioid receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0093 0.2318 0.2266
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0038 0.0402 0.0402
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0038 0.0402 0.0402
Echinococcus granulosus biogenic amine 5HT receptor 0.0093 0.2318 0.2553
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1179 0.1298
Onchocerca volvulus 0.0093 0.2318 0.2275
Schistosoma mansoni hypothetical protein 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0038 0.0402 0.0402
Schistosoma mansoni adenoreceptor 0.0093 0.2318 0.2318
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0093 0.2318 0.2266
Echinococcus granulosus 7TM GPCR rhodopsin 0.0093 0.2318 0.2553
Brugia malayi G protein-coupled receptor F59B2.13 0.0093 0.2318 0.2553
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0057 0.106 0.1172
Echinococcus multilocularis serotonin receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis g protein coupled receptor 0.0093 0.2318 0.2266
Brugia malayi Dopamine receptor 0.0093 0.2318 0.2553
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1179 0.1298
Onchocerca volvulus 0.0093 0.2318 0.2275
Onchocerca volvulus 0.0093 0.2318 0.2275
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.1979 0.1979
Schistosoma mansoni amine GPCR 0.0093 0.2318 0.2318
Echinococcus multilocularis neuropeptide Y receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0057 0.106 0.0827
Brugia malayi Dopamine receptor protein 1 0.0093 0.2318 0.2553
Toxoplasma gondii thioredoxin reductase 0.0046 0.0673 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3117 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0402 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0402 0.0402
Brugia malayi Dopamine receptor protein 2 0.0093 0.2318 0.2553
Schistosoma mansoni myosin xvIII 0.0093 0.2318 0.2318
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0287 0.9081 1
Echinococcus multilocularis serotonin receptor 0.0093 0.2318 0.2266
Trypanosoma brucei trypanothione reductase 0.0046 0.0673 1
Brugia malayi AKH receptor 0.0093 0.2318 0.2553
Mycobacterium tuberculosis Probable reductase 0.0104 0.2711 0.8508
Schistosoma mansoni growth hormone secretagogue receptor 0.0093 0.2318 0.2318
Brugia malayi Cyclic-nucleotide gated cation channel 0.0057 0.106 0.1167
Loa Loa (eye worm) AGC/PKG protein kinase 0.0038 0.0402 0.0074
Mycobacterium ulcerans hypothetical protein 0.0038 0.0402 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0093 0.2318 0.2275
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Echinococcus multilocularis neuropeptide FF receptor 2 0.0093 0.2318 0.2266
Treponema pallidum catabolite gene activator 0.0038 0.0402 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0083 0.1979 0.2179
Schistosoma mansoni biogenic amine receptor 0.0093 0.2318 0.2318
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Onchocerca volvulus 0.0093 0.2318 0.2275
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Schistosoma mansoni hypothetical protein 0.0205 0.621 0.621
Echinococcus multilocularis G protein coupled receptor 139 0.0093 0.2318 0.2266
Brugia malayi Melatonin receptor type 1A 0.0093 0.2318 0.2553
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0038 0.0402 0.0443
Treponema pallidum cyclic nucleotide binding protein 0.0038 0.0402 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0093 0.2318 0.2266
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Echinococcus granulosus hypothetical protein 0.0093 0.2318 0.2553
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0038 0.0402 0.0402
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0093 0.2318 0.2266
Schistosoma mansoni neuropeptide receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0038 0.0402 0.0074
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0038 0.0402 0.0444
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0268 0.8423 0.9311
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2711 0.8508
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus sex peptide receptor 0.0093 0.2318 0.2553
Echinococcus granulosus voltage gated potassium channel 0.0083 0.1979 0.2179
Echinococcus multilocularis allatostatin A receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) neuropeptide F receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0093 0.2318 0.2318
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0658 0.0658
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0038 0.0402 0.193
Brugia malayi Tachykinin-like peptides receptor 99D 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0041 0.0515 0.0203
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Brugia malayi Pre-SET motif family protein 0.0251 0.7837 0.863
Echinococcus granulosus tm gpcr rhodopsin 0.0093 0.2318 0.2553
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0093 0.2318 0.2318
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0038 0.0402 0.0074
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni hypothetical protein 0.0038 0.0402 0.0402
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0038 0.0402 0.0074
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2711 0.8508
Schistosoma mansoni opsin-like receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis g protein coupled receptor 0.0093 0.2318 0.2266
Brugia malayi N-terminal motif family protein 0.0038 0.0402 0.0443
Schistosoma mansoni biogenic amine receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Loa Loa (eye worm) G-protein coupled receptor 0.0093 0.2318 0.2266
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0038 0.0402 0.0074
Echinococcus granulosus neuropeptide s receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0038 0.0402 0.0074
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) neuropeptide F receptor 0.0093 0.2318 0.2266
Brugia malayi Thioredoxin reductase 0.0046 0.0673 0.0741
Mycobacterium ulcerans transcriptional regulatory protein 0.0038 0.0402 0.5
Loa Loa (eye worm) hypothetical protein 0.0083 0.1979 0.1877
Loa Loa (eye worm) melatonin receptor type 1A 0.0093 0.2318 0.2266
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0038 0.0402 0.0402
Onchocerca volvulus 0.0093 0.2318 0.2275
Trypanosoma brucei Flagellar Member 6 0.0038 0.0402 0.5975
Plasmodium falciparum thioredoxin reductase 0.0046 0.0673 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0093 0.2318 0.2318
Echinococcus granulosus neuropeptide Y receptor 0.0093 0.2318 0.2553
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0038 0.0402 0.0443
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus g-protein coupled receptor 0.0093 0.2318 0.2553
Echinococcus granulosus neuropeptide receptor 0.0093 0.2318 0.2553
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0038 0.0402 0.0074
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0057 0.106 0.106
Echinococcus granulosus neuropeptide receptor A26 0.0093 0.2318 0.2553
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0093 0.2318 0.2553
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0287 0.9081 1
Schistosoma mansoni neuropeptide F-like receptor 0.0093 0.2318 0.2318
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0038 0.0402 0.0402
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0337 0.0337
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0093 0.2318 0.2553
Mycobacterium ulcerans hypothetical protein 0.0038 0.0402 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus tm gpcr rhodopsin 0.0093 0.2318 0.2553
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0057 0.106 0.1167
Treponema pallidum cyclic nucleotide binding protein 0.0038 0.0402 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni neuropeptide f receptor 76f 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Brugia malayi neuropeptide F receptor 0.0093 0.2318 0.2553
Schistosoma mansoni amine GPCR 0.0093 0.2318 0.2318
Echinococcus granulosus G protein coupled receptor 139 0.0093 0.2318 0.2553
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Loa Loa (eye worm) glutathione reductase 0.0046 0.0673 0.0384
Loa Loa (eye worm) G-protein coupled receptor 0.0093 0.2318 0.2266
Mycobacterium ulcerans regulatory protein 0.0038 0.0402 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0093 0.2318 0.2553
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0402 0.0444
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0093 0.2318 0.2266
Echinococcus multilocularis dro:myosuppressin receptor 0.0093 0.2318 0.2266
Echinococcus granulosus allatostatin A receptor 0.0093 0.2318 0.2553
Plasmodium falciparum glutathione reductase 0.0046 0.0673 1
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Schistosoma mansoni amine GPCR 0.0093 0.2318 0.2318
Echinococcus multilocularis neuropeptide receptor 0.0093 0.2318 0.2266
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0402 0.0444
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0093 0.2318 0.2318
Echinococcus granulosus neuropeptide receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0093 0.2318 0.2266
Onchocerca volvulus 0.0038 0.0402 0.0074
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Echinococcus granulosus neuropeptides capa receptor 0.0093 0.2318 0.2553
Schistosoma mansoni neuropeptide receptor 0.0093 0.2318 0.2318
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0038 0.0402 0.5975
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0093 0.2318 0.2318
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0038 0.0402 0.193
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0673 0.0998
Brugia malayi G-protein coupled receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0093 0.2318 0.2266
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2711 0.8508
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0093 0.2318 0.2318
Trypanosoma brucei protein kinase A regulatory subunit 0.0038 0.0402 0.5975
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0038 0.0402 0.193
Echinococcus granulosus alpha 1A adrenergic receptor 0.0093 0.2318 0.2553
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Echinococcus granulosus hyperpolarization activated cyclic 0.0057 0.106 0.1167
Onchocerca volvulus 0.0038 0.0402 0.0074
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni neuropeptide receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3117 1
Schistosoma mansoni hypothetical protein 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0038 0.0402 0.193
Echinococcus granulosus tm gpcr rhodopsin 0.0093 0.2318 0.2553
Brugia malayi G protein-coupled receptor 0.0093 0.2318 0.2553
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0057 0.106 0.1167
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0038 0.0402 0.0074
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0337 0.0371
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0093 0.2318 0.2266
Schistosoma mansoni biogenic amine receptor 0.0093 0.2318 0.2318
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0038 0.0402 0.0074
Echinococcus granulosus cGMP dependent protein kinase 0.0038 0.0402 0.0443
Echinococcus multilocularis hyperpolarization activated cyclic 0.0057 0.106 0.0827
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Echinococcus multilocularis geminin 0.0205 0.621 0.6716
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3117 1
Onchocerca volvulus 0.0286 0.9046 1
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Onchocerca volvulus 0.0093 0.2318 0.2275
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni biogenic amine (5HT) receptor 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0093 0.2318 0.2266
Schistosoma mansoni opsin-like receptor 0.0093 0.2318 0.2318
Brugia malayi G-protein coupled receptor 0.0093 0.2318 0.2553
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0038 0.0402 0.5
Trypanosoma brucei cAMP response protein 1, putative 0.0038 0.0402 0.5975
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0057 0.106 0.0827
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni neuropeptide receptor 0.0093 0.2318 0.2318
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0038 0.0402 0.0402
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Onchocerca volvulus 0.0093 0.2318 0.2275
Onchocerca volvulus 0.0093 0.2318 0.2275
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0083 0.1979 0.2179
Brugia malayi ORL1-like opioid receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Echinococcus granulosus neuropeptide Y receptor 0.0093 0.2318 0.2553
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0057 0.106 0.0827
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0093 0.2318 0.2553
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0515 0.0567
Trypanosoma brucei cAMP binding protein, putative 0.0038 0.0402 0.5975
Schistosoma mansoni hypothetical protein 0.0041 0.0515 0.0515
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0057 0.106 0.106
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0093 0.2318 0.2266
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0038 0.0402 0.0402
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0673 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0402 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0093 0.2318 0.2266
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus cGMP dependent protein kinase 1 0.0038 0.0402 0.0443
Brugia malayi Egg laying defective protein 4 0.0038 0.0402 0.0443
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0057 0.106 0.106
Onchocerca volvulus 0.0093 0.2318 0.2275
Echinococcus multilocularis somatostatin receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Plasmodium vivax glutathione reductase, putative 0.0046 0.0673 1
Brugia malayi putative neuropeptide receptor 0.0093 0.2318 0.2553
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0057 0.106 0.106
Echinococcus granulosus 7tm_1 domain containing protein 0.0093 0.2318 0.2553
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0093 0.2318 0.2266
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0093 0.2318 0.2318
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0402 0.0402
Echinococcus granulosus dro:myosuppressin receptor 0.0093 0.2318 0.2553
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0038 0.0402 0.0402
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0093 0.2318 0.2266
Echinococcus granulosus g protein coupled receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis expressed conserved protein 0.0038 0.0402 0.0074
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0057 0.106 0.0827
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3117 1
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0038 0.0402 0.0402
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0291 0.032
Loa Loa (eye worm) hypothetical protein 0.0038 0.0402 0.0074
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0038 0.0402 0.0443
Schistosoma mansoni serine/threonine protein kinase 0.0038 0.0402 0.0402
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0093 0.2318 0.2553
Schistosoma mansoni biogenic amine (5HT) receptor 0.0093 0.2318 0.2318
Brugia malayi sulfakinin receptor protein 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0287 0.9081 1
Onchocerca volvulus 0.0093 0.2318 0.2275
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0337 0.0337
Schistosoma mansoni hypothetical protein 0.0205 0.621 0.621
Brugia malayi Serotonin receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis orexin receptor type 2 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.006 0.1179 0.0962
Echinococcus multilocularis neuropeptide receptor A26 0.0093 0.2318 0.2266
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2711 0.8508
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0057 0.106 0.0827
Mycobacterium ulcerans transmembrane transport protein 0.0038 0.0402 0.5
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0057 0.106 0.0827
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0694 0.0764
Echinococcus granulosus peptide allatostatin:somatostatin 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0038 0.0402 0.0074
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.2711 0.87
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0093 0.2318 0.2553
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0038 0.0402 0.0443
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0402 0.0444
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0038 0.0402 0.5975
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0057 0.106 0.1167
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0093 0.2318 0.2318
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0038 0.0402 0.193
Leishmania major trypanothione reductase 0.0046 0.0673 1
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0093 0.2318 0.2318
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0038 0.0402 0.0402
Echinococcus granulosus g protein coupled receptor 0.0093 0.2318 0.2553
Schistosoma mansoni voltage-gated potassium channel 0.0057 0.106 0.106
Schistosoma mansoni amine GPCR 0.0093 0.2318 0.2318
Brugia malayi glutathione reductase 0.0046 0.0673 0.0741
Loa Loa (eye worm) TYRA-2 protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0268 0.8423 0.9311
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0038 0.0402 0.0074
Echinococcus granulosus g protein coupled receptor 0.0093 0.2318 0.2553
Schistosoma mansoni opsin-like receptor 0.0093 0.2318 0.2318
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1179 0.0962
Brugia malayi Pre-SET motif family protein 0.0036 0.0337 0.0371
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0057 0.106 0.1172
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0038 0.0402 0.0444
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Brugia malayi GnHR receptor homolog 0.0093 0.2318 0.2553
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0038 0.0402 0.0443
Mycobacterium leprae Conserved hypothetical protein 0.0038 0.0402 0.129
Brugia malayi hypothetical protein 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Echinococcus granulosus biogenic amine 5HT receptor 0.0093 0.2318 0.2553
Echinococcus granulosus tachykinin peptides receptor 99D 0.0093 0.2318 0.2553
Echinococcus granulosus neuropeptide FF receptor 2 0.0093 0.2318 0.2553
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7837 0.8577
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0093 0.2318 0.2318
Schistosoma mansoni amine GPCR 0.0093 0.2318 0.2318
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0038 0.0402 0.193
Schistosoma mansoni voltage-gated potassium channel 0.0083 0.1979 0.1979
Echinococcus granulosus fmrfamide receptor 0.0093 0.2318 0.2553
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0337 0.0337
Onchocerca volvulus 0.0093 0.2318 0.2275
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Loa Loa (eye worm) hypothetical protein 0.0093 0.2318 0.2266
Brugia malayi Serotonin receptor 0.0093 0.2318 0.2553
Echinococcus multilocularis rhodopsin orphan GPCR 0.0093 0.2318 0.2266
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0694 0.0408
Onchocerca volvulus 0.0093 0.2318 0.2275
Echinococcus multilocularis sex peptide receptor 0.0093 0.2318 0.2266
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0038 0.0402 0.5
Schistosoma mansoni hypothetical protein 0.0093 0.2318 0.2318
Onchocerca volvulus 0.0093 0.2318 0.2275
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0038 0.0402 0.0443
Echinococcus granulosus rhodopsin orphan GPCR 0.0093 0.2318 0.2553
Schistosoma mansoni histamine h1 receptor 0.0093 0.2318 0.2318
Echinococcus multilocularis G-protein coupled receptor, putative 0.0093 0.2318 0.2266
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0093 0.2318 0.2266

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8199 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4581 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.0119 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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 (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 23.9341 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (binding) = 31.6228 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) = 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 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

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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