Detailed information for compound 1471639

Basic information

Technical information
  • TDR Targets ID: 1471639
  • Name: N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-ylacetam ide chloride
  • MW: 292.761 | Formula: C15H17ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.13 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)NC(=O)C[n+]1ccccc1.[Cl-]
  • InChi: 1S/C15H16N2O2.ClH/c1-2-19-14-8-6-13(7-9-14)16-15(18)12-17-10-4-3-5-11-17;/h3-11H,2,12H2,1H3;1H
  • InChiKey: BORDXKDWSFCTGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-yl-acetamide chloride
  • N-(4-ethoxyphenyl)-2-(1-pyridin-1-iumyl)acetamide chloride
  • N-p-phenetyl-2-pyridin-1-ium-1-yl-acetamide chloride
  • N-(4-ethoxyphenyl)-2-pyridin-1-ium-1-yl-ethanamide chloride
  • MLS000551892
  • SMR000172407
  • 1-[(4-Ethoxy-phenylcarbamoyl)-methyl]-pyridinium

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
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 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Loa Loa (eye worm) hypothetical protein 0.0087 0.1615 0.1615
Schistosoma mansoni hypothetical protein 0.0205 0.4908 0.7386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0165 0.3788 0.3788
Brugia malayi ecdysone receptor 0.0078 0.1354 0.1338
Echinococcus granulosus nuclear factor of activated T cells 5 0.0149 0.334 0.5311
Loa Loa (eye worm) RNA binding protein 0.0075 0.1275 0.1275
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0165 0.3788 0.6022
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Brugia malayi hypothetical protein 0.0087 0.1615 0.1599
Brugia malayi hypothetical protein 0.0087 0.1615 0.1599
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0037 0.0204 0.0325
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0087 0.1615 0.2225
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Onchocerca volvulus Protein ultraspiracle homolog 0.0165 0.3788 0.786
Schistosoma mansoni hypothetical protein 0.0122 0.2604 0.3776
Loa Loa (eye worm) hypothetical protein 0.0087 0.1615 0.1615
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0387 1 1
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1043 0.1658
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Echinococcus granulosus ecdysone induced protein 78C 0.0165 0.3788 0.6022
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0122 0.2604 0.4141
Brugia malayi Cation transporter family protein 0.0037 0.0204 0.0187
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0078 0.1354 0.1817
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0165 0.3788 0.3776
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.0204 0.0187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0727 0.0835
Echinococcus multilocularis jun protein 0.0254 0.6289 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0018 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0165 0.3788 0.6022
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Brugia malayi nuclear hormone receptor family member odr-7 0.0078 0.1354 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0165 0.3788 0.3776
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0727 0.1156
Echinococcus granulosus acetylcholinesterase 0.0067 0.1043 0.1658
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0018 0.5
Brugia malayi nuclear receptor NHR-67 0.0078 0.1354 0.1338
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0165 0.3788 0.3788
Brugia malayi nuclear hormone receptor family member nhr-6 0.0078 0.1354 0.1338
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0165 0.3788 0.3776
Schistosoma mansoni nuclear receptor nhr-48 0.0078 0.1354 0.1817
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0165 0.3788 0.6022
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0165 0.3788 0.6022
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Brugia malayi Nuclear hormone receptor E75 0.0078 0.1354 0.1338
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0254 0.6289 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.1615 0.1615
Onchocerca volvulus 0.0078 0.1354 0.2522
Schistosoma mansoni RAR-like nuclear receptor 0.0165 0.3788 0.563
Brugia malayi Calcitonin receptor-like protein seb-1 0.0387 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0067 0.1043 0.1329
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Schistosoma mansoni hypothetical protein 0.0264 0.6577 1
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0037 0.0204 0.0325
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0165 0.3788 0.6022
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.0204 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1275 0.1694
Entamoeba histolytica hypothetical protein 0.0036 0.0194 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0165 0.3788 0.3776
Brugia malayi Nuclear hormone receptor-like 1 0.0087 0.1615 0.1599
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Entamoeba histolytica hypothetical protein 0.0036 0.0194 0.5
Brugia malayi Cytochrome P450 family protein 0.006 0.0867 0.085
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0037 0.0204 0.0325
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0037 0.0204 0.0325
Loa Loa (eye worm) LGC-31 protein 0.0037 0.0204 0.0204
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0165 0.3788 0.6022
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0037 0.0204 0.0204
Brugia malayi Latrophilin receptor protein 2 0.0122 0.2604 0.2591
Leishmania major hypothetical protein, conserved 0.003 0.0018 0.5
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0037 0.0204 0.0204
Brugia malayi nuclear receptor NHR-88 0.0078 0.1354 0.1338
Loa Loa (eye worm) steroid hormone receptor 0.0165 0.3788 0.3788
Brugia malayi nuclear receptor RXR 0.0078 0.1354 0.1338
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0078 0.1354 0.1338
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0165 0.3788 0.6022
Loa Loa (eye worm) hypothetical protein 0.0247 0.6095 0.6095
Schistosoma mansoni zinc finger protein 0.0078 0.1354 0.1817
Brugia malayi conserved hypotetical protein 0.0078 0.1354 0.1338
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.0204 0.0016
Brugia malayi Cation transporter family protein 0.0037 0.0204 0.0187
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Brugia malayi steroid hormone receptor 0.0165 0.3788 0.3776
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0165 0.3788 0.3776
Loa Loa (eye worm) latrophilin receptor protein 2 0.0122 0.2604 0.2604
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Schistosoma mansoni thyroid hormone receptor 0.0165 0.3788 0.563
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0727 0.0835
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0037 0.0204 0.0325
Brugia malayi hypothetical protein 0.0078 0.1354 0.1338
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0037 0.0204 0.0325
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0165 0.3788 0.563
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0727 0.1156
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0037 0.0204 0.0325
Echinococcus granulosus acetylcholinesterase 0.0067 0.1043 0.1658
Loa Loa (eye worm) TAR-binding protein 0.0075 0.1275 0.1275
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0122 0.2604 0.4141
Loa Loa (eye worm) hypothetical protein 0.0122 0.2604 0.2604
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0165 0.3788 0.6022
Echinococcus granulosus tar DNA binding protein 0.0075 0.1275 0.2028
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0037 0.0204 0.0204
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0727 0.1156
Loa Loa (eye worm) hypothetical protein 0.0087 0.1615 0.1615
Schistosoma mansoni nuclear hormone receptor 0.0078 0.1354 0.1817
Schistosoma mansoni nuclear hormone receptor 0.0165 0.3788 0.563
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0018 0.5
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0149 0.334 0.5311
Brugia malayi bZIP transcription factor family protein 0.0254 0.6289 0.6283
Echinococcus granulosus carboxylesterase 5A 0.0067 0.1043 0.1658
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0078 0.1354 0.1817
Loa Loa (eye worm) hypothetical protein 0.0387 1 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0037 0.0204 0.0325
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1275 0.1694
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0727 0.0835
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Brugia malayi Nuclear hormone receptor E75 0.0078 0.1354 0.1338
Echinococcus multilocularis FTZ F1 alpha 0.0165 0.3788 0.6022
Brugia malayi hypothetical protein 0.0036 0.0194 0.0177
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Echinococcus granulosus geminin 0.0205 0.4908 0.7804
Echinococcus multilocularis tar DNA binding protein 0.0075 0.1275 0.2028
Schistosoma mansoni nuclear receptor 0.0078 0.1354 0.1817
Brugia malayi hypothetical protein 0.0199 0.4763 0.4753
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.0204 0.0016
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0037 0.0204 0.0325
Brugia malayi nuclear hormone receptor 0.0078 0.1354 0.1338
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0078 0.1354 0.2153
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Echinococcus granulosus nAChR subunit 0.0037 0.0204 0.0325
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0078 0.1354 0.2153
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1275 0.1694
Echinococcus granulosus FTZ F1 alpha 0.0165 0.3788 0.6022
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Schistosoma mansoni hypothetical protein 0.0122 0.2604 0.3776
Brugia malayi nuclear receptor NHR-88 0.0165 0.3788 0.3776
Echinococcus granulosus jun protein 0.0254 0.6289 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0194 0.0309
Loa Loa (eye worm) hypothetical protein 0.0195 0.4647 0.4647
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0078 0.1354 0.1354
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0037 0.0204 0.0204
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0037 0.0204 0.0187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0075 0.1275 0.1275
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1275 0.1694
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Brugia malayi tailless protein 0.0078 0.1354 0.1338
Echinococcus multilocularis nuclear receptor nhr 48 0.0078 0.1354 0.2153
Brugia malayi nuclear hormone receptor 0.0165 0.3788 0.3776
Loa Loa (eye worm) hypothetical protein 0.0264 0.6577 0.6577
Brugia malayi orphan nuclear receptor NR2E1 0.0078 0.1354 0.1338
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0122 0.2604 0.2591
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0165 0.3788 0.6022
Loa Loa (eye worm) carboxylesterase 0.0067 0.1043 0.1043
Brugia malayi Carboxylesterase family protein 0.0067 0.1043 0.1026
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0037 0.0204 0.0187
Brugia malayi follicle stimulating hormone receptor 0.0267 0.6645 0.6639
Echinococcus multilocularis acetylcholinesterase 0.0067 0.1043 0.1658
Loa Loa (eye worm) acetylcholinesterase 1 0.0067 0.1043 0.1043
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0037 0.0204 0.0325
Loa Loa (eye worm) ACC-1 protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0727 0.0727
Brugia malayi RNA recognition motif domain containing protein 0.0075 0.1275 0.126
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0037 0.0204 0.0016
Brugia malayi Nuclear hormone receptor-like 1 0.0087 0.1615 0.1599
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0165 0.3788 0.6022
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0037 0.0204 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0165 0.3788 0.3776
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0165 0.3788 0.3776
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0037 0.0204 0.0016
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.1354 0.2153
Echinococcus multilocularis geminin 0.0205 0.4908 0.7804
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0078 0.1354 0.2153
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0037 0.0204 0.0325
Schistosoma mansoni nuclear receptor 0.0078 0.1354 0.1817
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Brugia malayi Carboxylesterase family protein 0.0067 0.1043 0.1026
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0165 0.3788 0.563
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0165 0.3788 0.3776
Brugia malayi excitatory GABA receptor EXP-1A 0.0037 0.0204 0.0187
Loa Loa (eye worm) nuclear receptor NHR-67 0.0078 0.1354 0.1354
Echinococcus granulosus Nuclear hormone receptor HR96 0.0078 0.1354 0.2153
Loa Loa (eye worm) DR-78 0.0078 0.1354 0.1354
Schistosoma mansoni nuclear hormone receptor 0.0078 0.1354 0.1817
Brugia malayi Steroid receptor seven-up type 2 0.0165 0.3788 0.3776
Echinococcus multilocularis carboxylesterase 5A 0.0067 0.1043 0.1658
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0165 0.3788 0.563
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0165 0.3788 0.3776
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0165 0.3788 0.3788
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Brugia malayi hypothetical protein 0.0078 0.1354 0.1338
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0037 0.0204 0.0187
Loa Loa (eye worm) hypothetical protein 0.0178 0.4175 0.4175
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Entamoeba histolytica hypothetical protein 0.0036 0.0194 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0165 0.3788 0.563
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0194 0.0309
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Schistosoma mansoni hypothetical protein 0.0206 0.4958 0.7463
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0267 0.6645 0.6645
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0037 0.0204 0.0016
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0087 0.1615 0.2567
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Echinococcus multilocularis nAChR subunit 0.0037 0.0204 0.0325
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0122 0.2604 0.4141
Echinococcus multilocularis ecdysone induced protein 78C 0.0165 0.3788 0.6022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0165 0.3788 0.3788
Brugia malayi RNA binding protein 0.0075 0.1275 0.126
Echinococcus multilocularis glycine receptor subunit beta 0.0037 0.0204 0.0325
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0165 0.3788 0.563
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0037 0.0204 0.0187
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0165 0.3788 0.3788
Loa Loa (eye worm) hypothetical protein 0.0165 0.3788 0.3788
Schistosoma mansoni jun-related protein 0.0206 0.4958 0.7463
Loa Loa (eye worm) hypothetical protein 0.0336 0.8596 0.8596
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0165 0.3788 0.3788
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) nuclear hormone receptor 0.0078 0.1354 0.1354
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0037 0.0204 0.0187
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.0867 0.0867
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0087 0.1615 0.1615
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Onchocerca volvulus 0.0199 0.4763 1
Schistosoma mansoni hypothetical protein 0.0122 0.2604 0.3776
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0037 0.0204 0.0325
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0195 0.4647 0.4637
Brugia malayi ecdysteroid receptor 0.0165 0.3788 0.3776
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0087 0.1615 0.2567
Schistosoma mansoni hypothetical protein 0.0205 0.4908 0.7386
Brugia malayi Cation transporter family protein 0.0037 0.0204 0.0187
Echinococcus granulosus thyroid hormone receptor alpha 0.0078 0.1354 0.2153
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.003 0.0018 0.0018
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0018 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0727 0.1156
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0078 0.1354 0.2153
Schistosoma mansoni steroid hormone receptor ad4bp 0.0165 0.3788 0.563
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0087 0.1615 0.2225
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0165 0.3788 0.3788
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) ACC-1 protein 0.0037 0.0204 0.0204
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0078 0.1354 0.2522
Echinococcus multilocularis thyroid hormone receptor alpha 0.0165 0.3788 0.6022
Schistosoma mansoni thyroid hormone receptor 0.0165 0.3788 0.563
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0165 0.3788 0.6022
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0037 0.0204 0.0187
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0122 0.2604 0.4141
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0078 0.1354 0.2522
Entamoeba histolytica hypothetical protein 0.0036 0.0194 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0165 0.3788 0.3776
Schistosoma mansoni tar DNA-binding protein 0.0075 0.1275 0.1694
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0037 0.0204 0.0016
Onchocerca volvulus 0.0165 0.3788 0.786
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0165 0.3788 0.6022
Schistosoma mansoni retinoic acid receptor RXR 0.0165 0.3788 0.563
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Brugia malayi TAR-binding protein 0.0075 0.1275 0.126
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0037 0.0204 0.0325
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0165 0.3788 0.6022
Brugia malayi nuclear receptor RXR 0.0087 0.1615 0.1599
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0165 0.3788 0.563
Echinococcus multilocularis GPCR, family 2 0.0122 0.2604 0.4141
Echinococcus granulosus Nuclear hormone receptor HR96 0.0078 0.1354 0.2153
Brugia malayi photoreceptor-specific nuclear receptor 0.0165 0.3788 0.3776
Loa Loa (eye worm) hypothetical protein 0.0087 0.1615 0.1615
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0165 0.3788 0.3776
Loa Loa (eye worm) hypothetical protein 0.0067 0.1043 0.1043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0165 0.3788 0.3776
Schistosoma mansoni hypothetical protein 0.0122 0.2604 0.3776
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0727 0.071
Onchocerca volvulus Bile acid receptor homolog 0.0165 0.3788 0.786
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0165 0.3788 0.3776
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0037 0.0204 0.0325
Echinococcus granulosus glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Echinococcus granulosus GPCR family 2 0.0122 0.2604 0.4141
Onchocerca volvulus 0.0078 0.1354 0.2522
Echinococcus granulosus nuclear receptor nhr 48 0.0078 0.1354 0.2153
Brugia malayi latrophilin 2 splice variant baaae 0.0264 0.6577 0.6571
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0254 0.6289 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0165 0.3788 0.3776
Schistosoma mansoni coup transcription factor 0.0165 0.3788 0.563
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0037 0.0204 0.0325
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0165 0.3788 0.786
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0078 0.1354 0.1354
Echinococcus multilocularis glycine receptor subunit beta 0.0037 0.0204 0.0325
Echinococcus granulosus glycine receptor subunit beta 0.0037 0.0204 0.0325
Schistosoma mansoni nAChR subunit 0.0037 0.0204 0.0016
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0204 0.0187
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0037 0.0204 0.0325
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.1354 0.2153
Echinococcus granulosus glycine receptor subunit beta 0.0037 0.0204 0.0325
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0078 0.1354 0.2153
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0037 0.0204 0.0187
Loa Loa (eye worm) hypothetical protein 0.0037 0.0204 0.0204
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0037 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0067 0.1043 0.1043

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 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 (binding) = 10 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) 11.2202 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) 14.7157 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) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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