Detailed information for compound 1440896

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 462.516 | Formula: C22H26N2O7S
  • H donors: 1 H acceptors: 4 LogP: 2.19 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NS(=O)(=O)c1ccc(c(c1)C(=O)OC(C(=O)N1CCOCC1)C)C
  • InChi: 1S/C22H26N2O7S/c1-15-4-9-19(32(27,28)23-17-5-7-18(29-3)8-6-17)14-20(15)22(26)31-16(2)21(25)24-10-12-30-13-11-24/h4-9,14,16,23H,10-13H2,1-3H3
  • InChiKey: RATPJWLDDWKQIN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus lamin dm0 0.0028 0.0249 0.0249
Onchocerca volvulus 0.0028 0.0249 0.0947
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0067 0.1109 0.1574
Brugia malayi intermediate filament protein 0.0028 0.0249 0.0524
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0036 0.0434 0.0912
Loa Loa (eye worm) GABA receptor subunit 0.002 0.0062 0.0089
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0036 0.0434 0.0434
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0503 0.0503
Echinococcus multilocularis geminin 0.0205 0.4157 0.4157
Loa Loa (eye worm) hypothetical protein 0.0178 0.3562 0.5056
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0067 0.1109 0.2329
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Schistosoma mansoni voltage-gated potassium channel 0.004 0.0503 0.0503
Loa Loa (eye worm) hypothetical protein 0.0335 0.7045 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0583
Loa Loa (eye worm) doublecortin family protein 0.0099 0.1827 0.2593
Loa Loa (eye worm) hypothetical protein 0.0095 0.1726 0.245
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0752 0.0765
Loa Loa (eye worm) ACC-1 protein 0.0036 0.0434 0.0616
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0067 0.1109 0.1574
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.4763 0.4763
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0032 0.0327 0.0327
Echinococcus granulosus nuclear factor of activated T cells 5 0.0072 0.1215 0.1215
Brugia malayi Nuclear hormone receptor-like 1 0.0067 0.1109 0.2329
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0232 0.0232
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0036 0.0434 0.0616
Loa Loa (eye worm) ShTK domain-containing protein 0.0095 0.1726 0.245
Echinococcus multilocularis ecdysone induced protein 78C 0.0067 0.1109 0.1109
Schistosoma mansoni thyroid hormone receptor 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Schistosoma mansoni lipoxygenase 0.029 0.6043 0.6043
Schistosoma mansoni hypothetical protein 0.0047 0.0676 0.0676
Echinococcus granulosus thyroid hormone receptor alpha 0.0032 0.0327 0.0327
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0676 0.1418
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Brugia malayi Cation transporter family protein 0.0036 0.0434 0.0912
Echinococcus multilocularis lamin 0.0028 0.0249 0.0249
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0036 0.0434 0.0912
Echinococcus multilocularis thyroid hormone receptor alpha 0.0067 0.1109 0.1109
Brugia malayi hypothetical protein 0.0035 0.0411 0.0862
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0095 0.1726 0.3623
Loa Loa (eye worm) hypothetical protein 0.0028 0.0238 0.0338
Brugia malayi bZIP transcription factor family protein 0.0173 0.3457 0.7257
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.4763 0.4763
Brugia malayi nuclear hormone receptor family member nhr-6 0.0032 0.0327 0.0686
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.055 0.0422
Onchocerca volvulus 0.0036 0.0434 0.1648
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0302 0.044
Onchocerca volvulus Bile acid receptor homolog 0.0067 0.1109 0.421
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0036 0.0434 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0067 0.1109 0.2329
Schistosoma mansoni steroid hormone receptor ad4bp 0.0067 0.1109 0.1109
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0069 0.1149 0.1149
Schistosoma mansoni nuclear hormone receptor 0.0067 0.1109 0.1109
Trypanosoma brucei carbonic anhydrase-like protein 0.012 0.2275 0.3353
Echinococcus granulosus glycine receptor subunit beta 0.0036 0.0434 0.0434
Echinococcus multilocularis glycine receptor subunit beta 0.0036 0.0434 0.0434
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.1221 0.1221
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0249 0.0354
Onchocerca volvulus 0.0136 0.2634 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.002 0.0062 0.0062
Brugia malayi hypothetical protein 0.0072 0.1221 0.2563
Schistosoma mansoni hypothetical protein 0.0099 0.1827 0.1827
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0069 0.1149 0.1149
Schistosoma mansoni RAR-like nuclear receptor 0.0067 0.1109 0.1109
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0229 0.469 0.469
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0249 0.0354
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0067 0.1109 0.2329
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Onchocerca volvulus 0.0036 0.0434 0.1648
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0067 0.1109 0.1109
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0032 0.0327 0.0327
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0067 0.1109 0.1574
Loa Loa (eye worm) nuclear receptor NHR-67 0.0032 0.0327 0.0464
Schistosoma mansoni loxhd1 0.0099 0.1827 0.1827
Brugia malayi steroid hormone receptor 0.0067 0.1109 0.2329
Echinococcus granulosus carbonic anhydrase 0.0027 0.0232 0.0232
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.012 0.2275 0.3229
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0036 0.0434 0.0434
Echinococcus granulosus transcription factor Dp 1 0.004 0.0509 0.0509
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0583
Schistosoma mansoni jun-related protein 0.0141 0.2739 0.2739
Brugia malayi MH2 domain containing protein 0.0144 0.2819 0.5918
Brugia malayi Steroid receptor seven-up type 2 0.0067 0.1109 0.2329
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0067 0.1109 0.2329
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0036 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Loa Loa (eye worm) nuclear hormone receptor 0.0032 0.0327 0.0464
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0069 0.1149 0.1149
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0069 0.1149 0.144
Onchocerca volvulus 0.0047 0.0676 0.2564
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0035 0.0411 0.0411
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0329
Brugia malayi hypothetical protein 0.002 0.0063 0.0132
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0036 0.0434 0.0616
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.012 0.2275 0.2275
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Schistosoma mansoni lamin 0.0028 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Onchocerca volvulus Protein ultraspiracle homolog 0.0067 0.1109 0.421
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0036 0.0434 0.0434
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0232 0.0232
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0036 0.0434 0.0434
Brugia malayi hypothetical protein 0.0099 0.1827 0.3835
Brugia malayi ecdysteroid receptor 0.0067 0.1109 0.2329
Echinococcus granulosus FTZ F1 alpha 0.0067 0.1109 0.1109
Schistosoma mansoni retinoic acid receptor RXR 0.0264 0.5473 0.5473
Schistosoma mansoni lipoxygenase 0.0469 1 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0583
Loa Loa (eye worm) hypothetical protein 0.0099 0.1827 0.2593
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0036 0.0434 0.0434
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.002 0.0062 0.0131
Brugia malayi excitatory GABA receptor EXP-1A 0.0036 0.0434 0.0912
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0067 0.1109 0.1109
Brugia malayi hypothetical protein 0.0232 0.4763 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0032 0.0327 0.0327
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.012 0.2275 0.3353
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0032 0.0327 0.124
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0036 0.0434 0.0616
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0067 0.1109 0.2329
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Brugia malayi Common central domain of tyrosinase family protein 0.0095 0.1726 0.3623
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.2732 0.413
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Brugia malayi hypothetical protein 0.0136 0.2634 0.5531
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Loa Loa (eye worm) hypothetical protein 0.0028 0.0249 0.0354
Brugia malayi nuclear receptor NHR-88 0.0032 0.0327 0.0686
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Entamoeba histolytica hypothetical protein 0.0072 0.1221 1
Loa Loa (eye worm) steroid hormone receptor 0.0067 0.1109 0.1574
Echinococcus granulosus nAChR subunit 0.0036 0.0434 0.0434
Schistosoma mansoni lamin 0.0028 0.0249 0.0249
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0062 0.0131
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0036 0.0434 0.0434
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0035 0.0411 0.0411
Echinococcus granulosus glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Onchocerca volvulus 0.002 0.0062 0.0237
Echinococcus multilocularis RUN 0.0099 0.1827 0.1827
Brugia malayi Cation transporter family protein 0.0036 0.0434 0.0912
Loa Loa (eye worm) LGC-31 protein 0.0036 0.0434 0.0616
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0376 0.5
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Schistosoma mansoni survival motor neuron protein 0.0047 0.0676 0.0676
Onchocerca volvulus 0.0036 0.0434 0.1648
Echinococcus granulosus ecdysone induced protein 78C 0.0067 0.1109 0.1109
Echinococcus granulosus carbonic anhydrase II 0.012 0.2275 0.2275
Echinococcus granulosus nuclear receptor nhr 48 0.0032 0.0327 0.0327
Onchocerca volvulus 0.0032 0.0327 0.124
Echinococcus granulosus jun protein 0.0173 0.3457 0.3457
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0067 0.1109 0.1109
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0067 0.1109 0.1574
Onchocerca volvulus 0.0067 0.1109 0.421
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0036 0.0434 0.0616
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0036 0.0434 0.0434
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0067 0.1109 0.421
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0036 0.0434 0.0434
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0469 1 1
Onchocerca volvulus 0.0095 0.1726 0.655
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1149 0.144
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0036 0.0429 0.0429
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0095 0.1726 0.3623
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0042 0.055 0.0422
Brugia malayi hypothetical protein 0.0032 0.0327 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0067 0.1109 0.2329
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0067 0.1109 0.2329
Schistosoma mansoni nuclear receptor 0.0032 0.0327 0.0327
Brugia malayi Putative carbonic anhydrase 5 precursor 0.012 0.2275 0.4776
Schistosoma mansoni nuclear receptor 0.0032 0.0327 0.0327
Schistosoma mansoni hypothetical protein 0.0072 0.1221 0.1221
Onchocerca volvulus 0.0036 0.0434 0.1648
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0195 0.3934 0.8259
Brugia malayi conserved hypotetical protein 0.0032 0.0327 0.0686
Brugia malayi nuclear receptor NHR-88 0.0067 0.1109 0.2329
Echinococcus granulosus carbonic anhydrase 0.0027 0.0232 0.0232
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0232 0.0486
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Brugia malayi ecdysone receptor 0.0032 0.0327 0.0686
Echinococcus multilocularis lipoxygenase domain containing protein 0.0099 0.1827 0.1827
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0067 0.1109 0.1574
Loa Loa (eye worm) carbonic anhydrase 3 0.012 0.2275 0.3229
Schistosoma mansoni hypothetical protein 0.0141 0.2739 0.2739
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Onchocerca volvulus 0.002 0.0062 0.0237
Loa Loa (eye worm) hypothetical protein 0.0232 0.4763 0.6761
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Brugia malayi Cation transporter family protein 0.0036 0.0434 0.0912
Onchocerca volvulus 0.0028 0.0249 0.0947
Echinococcus granulosus carbonic anhydrase 0.0027 0.0232 0.0232
Onchocerca volvulus 0.0099 0.1827 0.6933
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0069 0.1149 0.1631
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0067 0.1109 0.2329
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0027 0.0232 0.0486
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.2732 0.413
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0036 0.0434 0.0434
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0302 0.044
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1149 0.144
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Onchocerca volvulus 0.0095 0.1726 0.655
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0095 0.1726 0.3623
Schistosoma mansoni intermediate filament proteins 0.0028 0.0249 0.0249
Brugia malayi orphan nuclear receptor NR2E1 0.0032 0.0327 0.0686
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0036 0.0434 0.0434
Brugia malayi nuclear receptor NHR-67 0.0032 0.0327 0.0686
Onchocerca volvulus 0.0095 0.1726 0.655
Schistosoma mansoni coup transcription factor 0.0067 0.1109 0.1109
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0069 0.1149 0.2412
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0036 0.0434 0.0616
Plasmodium falciparum LCCL domain-containing protein 0.0099 0.1827 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0329
Echinococcus multilocularis carbonic anhydrase II 0.012 0.2275 0.2275
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0067 0.1109 0.1109
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.3083 0.5
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0036 0.0434 0.0434
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0036 0.0429 0.0609
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0067 0.1109 0.1109
Echinococcus granulosus Nuclear hormone receptor HR96 0.0032 0.0327 0.0327
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0067 0.1109 0.1109
Entamoeba histolytica hypothetical protein 0.0072 0.1221 1
Brugia malayi hypothetical protein 0.0099 0.1827 0.3835
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Echinococcus multilocularis FTZ F1 alpha 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus multilocularis glycine receptor subunit beta 0.0036 0.0434 0.0434
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0035 0.0411 0.0411
Brugia malayi nuclear hormone receptor 0.0032 0.0327 0.0686
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0036 0.0434 0.0434
Brugia malayi nuclear receptor RXR 0.0035 0.0411 0.0862
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0027 0.0232 0.0329
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Brugia malayi ShTK domain containing protein 0.0095 0.1726 0.3623
Loa Loa (eye worm) ACC-1 protein 0.0036 0.0434 0.0616
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0036 0.0434 0.0434
Echinococcus granulosus Nuclear hormone receptor HR96 0.0032 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Onchocerca volvulus 0.0032 0.0327 0.124
Brugia malayi photoreceptor-specific nuclear receptor 0.0067 0.1109 0.2329
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.6186 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Schistosoma mansoni thyroid hormone receptor 0.0067 0.1109 0.1109
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0067 0.1109 0.1109
Onchocerca volvulus 0.0099 0.1827 0.6933
Schistosoma mansoni polycystin 1-related 0.0099 0.1827 0.1827
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0036 0.0434 0.0912
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0264 0.5473 0.5473
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0232 0.0232
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0411 0.0862
Brugia malayi nuclear receptor RXR 0.0032 0.0327 0.0686
Brugia malayi Nuclear hormone receptor E75 0.0032 0.0327 0.0686
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0027 0.0232 0.0329
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0032 0.0327 0.124
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0036 0.0434 0.0912
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Loa Loa (eye worm) hypothetical protein 0.0195 0.3934 0.5584
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0067 0.1109 0.1574
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Entamoeba histolytica hypothetical protein 0.0072 0.1221 1
Schistosoma mansoni zinc finger protein 0.0032 0.0327 0.0327
Brugia malayi hypothetical protein 0.0032 0.0327 0.0686
Onchocerca volvulus 0.0036 0.0434 0.1648
Brugia malayi Doublecortin family protein 0.0099 0.1827 0.3835
Echinococcus multilocularis jun protein 0.0173 0.3457 0.3457
Loa Loa (eye worm) hypothetical protein 0.0031 0.0323 0.0459
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0232 0.0486
Echinococcus granulosus lamin 0.0028 0.0249 0.0249
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0327 0.0327
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0173 0.3457 0.3457
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0032 0.0327 0.0327
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Echinococcus multilocularis nAChR subunit 0.002 0.0062 0.0062
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0036 0.0434 0.0434
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0032 0.0327 0.0686
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0032 0.0327 0.0327
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0036 0.0429 0.0429
Echinococcus granulosus RUN 0.0099 0.1827 0.1827
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0095 0.1726 0.3623
Echinococcus multilocularis lipoxygenase domain containing protein 0.0099 0.1827 0.1827
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0067 0.1109 0.2329
Schistosoma mansoni nuclear receptor nhr-48 0.0032 0.0327 0.0327
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.002 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Entamoeba histolytica hypothetical protein 0.0072 0.1221 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.055 0.0422
Loa Loa (eye worm) hypothetical protein 0.0095 0.1726 0.245
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0032 0.0327 0.0464
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0032 0.0327 0.0327
Leishmania major carbonic anhydrase-like protein 0.012 0.2275 0.3353
Schistosoma mansoni tyrosinase precursor 0.0095 0.1726 0.1726
Brugia malayi nuclear hormone receptor 0.0067 0.1109 0.2329
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0583
Onchocerca volvulus Putative nachr subunit 0.0036 0.0434 0.1648
Echinococcus multilocularis Polycystic kidney disease protein 0.0099 0.1827 0.1827
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2819 0.4001
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0067 0.1109 0.1109
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus multilocularis nuclear receptor nhr 48 0.0032 0.0327 0.0327
Brugia malayi hypothetical protein 0.0035 0.0411 0.0862
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.012 0.2275 0.4776
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Loa Loa (eye worm) hypothetical protein 0.003 0.0302 0.0428
Loa Loa (eye worm) hypothetical protein 0.002 0.0062 0.0089
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.6186 1
Schistosoma mansoni hypothetical protein 0.0205 0.4157 0.4157
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0034 0.0376 0.5
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0036 0.0434 0.0434
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0232 0.0232
Schistosoma mansoni hypothetical protein 0.0027 0.0232 0.0232
Brugia malayi hypothetical protein 0.003 0.0302 0.0634
Brugia malayi nuclear hormone receptor family member odr-7 0.0032 0.0327 0.0686
Echinococcus multilocularis lamin dm0 0.0028 0.0249 0.0249
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.012 0.2275 0.2275
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Schistosoma mansoni rab6-interacting 0.0099 0.1827 0.1827
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Schistosoma mansoni carbonic anhydrase 0.0027 0.0232 0.0232
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0036 0.0434 0.0616
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.1221 0.1221
Echinococcus granulosus lipoxygenase domain containing protein 0.0099 0.1827 0.1827
Loa Loa (eye worm) hypothetical protein 0.0032 0.0327 0.0464
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0173 0.3457 0.3457
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0067 0.1109 0.1109
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0232 0.0486
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0036 0.0434 0.0434
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0036 0.0429 0.0901
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0302 0.1546
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0032 0.0327 0.0327
Echinococcus granulosus Polycystic kidney disease protein 0.0099 0.1827 0.1827
Echinococcus multilocularis nAChR subunit 0.0036 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0067 0.1109 0.1109
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0027 0.0232 0.0486
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Schistosoma mansoni hypothetical protein 0.0205 0.4157 0.4157
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.6186 1
Schistosoma mansoni rab6-interacting 0.0099 0.1827 0.1827
Echinococcus granulosus lipoxygenase domain containing protein 0.0099 0.1827 0.1827
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0036 0.0434 0.0912
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.012 0.2275 0.3353
Mycobacterium ulcerans hypothetical protein 0.0156 0.3083 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0069 0.1149 0.144
Loa Loa (eye worm) hypothetical protein 0.0099 0.1827 0.2593
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0249 0.0524
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0509 0.0509
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0067 0.1109 0.2329
Onchocerca volvulus 0.0036 0.0434 0.1648
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.002 0.0062 0.0131
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0032 0.0327 0.0327
Echinococcus granulosus glycine receptor subunit beta 0.0036 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.0411 0.0411
Echinococcus granulosus glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Echinococcus granulosus geminin 0.0205 0.4157 0.4157
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0067 0.1109 0.1109
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.0411 0.0862
Brugia malayi tailless protein 0.0032 0.0327 0.0686
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0067 0.1109 0.2329
Onchocerca volvulus 0.0095 0.1726 0.655
Loa Loa (eye worm) ShTK domain-containing protein 0.0095 0.1726 0.245
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0035 0.0411 0.0583
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0036 0.0434 0.0912
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0036 0.0434 0.0434
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2819 0.4001
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0067 0.1109 0.2329
Echinococcus granulosus glycine receptor subunit alpha 1 0.0036 0.0434 0.0434
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0067 0.1109 0.1109
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0042 0.055 0.0422
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0036 0.0434 0.0912
Loa Loa (eye worm) DR-78 0.0032 0.0327 0.0464
Schistosoma mansoni nAChR subunit 0.0036 0.0434 0.0434
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.6186 1
Echinococcus multilocularis carbonic anhydrase 0.0027 0.0232 0.0232
Echinococcus granulosus nAChR subunit 0.002 0.0062 0.0062
Schistosoma mansoni nuclear hormone receptor 0.0032 0.0327 0.0327
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0036 0.0434 0.0912
Loa Loa (eye worm) tyrosinase 1 0.0095 0.1726 0.245
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0069 0.1149 0.9382
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0067 0.1109 0.1574
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0036 0.0434 0.0434
Brugia malayi Nuclear hormone receptor E75 0.0032 0.0327 0.0686
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Schistosoma mansoni carbonic anhydrase-related 0.0027 0.0232 0.0232
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.2732 0.413
Loa Loa (eye worm) hypothetical protein 0.0035 0.0411 0.0583
Schistosoma mansoni neurotransmitter gated ion channel 0.002 0.0062 0.0062
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0072 0.1215 0.1215
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0036 0.0434 0.0912
Loa Loa (eye worm) hypothetical protein 0.0168 0.3352 0.4758
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0036 0.0434 0.0912
Echinococcus granulosus intermediate filament protein 0.0028 0.0249 0.0249
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.1221 0.1221
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0067 0.1109 0.1109
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0067 0.1109 0.1109
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0067 0.1109 0.2329
Loa Loa (eye worm) hypothetical protein 0.0067 0.1109 0.1574
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0036 0.0434 0.0434
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.002 0.0062 0.0131
Toxoplasma gondii hypothetical protein 0.0048 0.0686 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0099 0.1827 1
Schistosoma mansoni tyrosinase precursor 0.0095 0.1726 0.1726
Loa Loa (eye worm) hypothetical protein 0.0036 0.0434 0.0616
Echinococcus multilocularis musashi 0.0028 0.0249 0.0249

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 1.8356 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) 3.1623 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

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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