Detailed information for compound 954382

Basic information

Technical information
  • TDR Targets ID: 954382
  • Name: 2-[6,7-dimethoxy-1-[(3-methoxy-4-pyrimidin-2- yloxyphenyl)methyl]-3,4-dihydro-1H-isoquinoli n-2-yl]-N-(phenylmethyl)acetamide
  • MW: 554.636 | Formula: C32H34N4O5
  • H donors: 1 H acceptors: 3 LogP: 4.68 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1cc(ccc1Oc1ncccn1)CC1N(CCc2c1cc(OC)c(c2)OC)CC(=O)NCc1ccccc1
  • InChi: 1S/C32H34N4O5/c1-38-28-17-23(10-11-27(28)41-32-33-13-7-14-34-32)16-26-25-19-30(40-3)29(39-2)18-24(25)12-15-36(26)21-31(37)35-20-22-8-5-4-6-9-22/h4-11,13-14,17-19,26H,12,15-16,20-21H2,1-3H3,(H,35,37)
  • InChiKey: RRBYCHHICVPEJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[6,7-dimethoxy-1-[(3-methoxy-4-pyrimidin-2-yloxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(phenylmethyl)acetamide
  • 2-[6,7-dimethoxy-1-[[3-methoxy-4-(2-pyrimidinyloxy)phenyl]methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[6,7-dimethoxy-1-(3-methoxy-4-pyrimidin-2-yloxy-benzyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
  • 2-[6,7-dimethoxy-1-[(3-methoxy-4-pyrimidin-2-yloxy-phenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(phenylmethyl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hypocretin (orexin) receptor 2 Starlite/ChEMBL References
Homo sapiens hypocretin (orexin) receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus granulosus neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
Echinococcus multilocularis G protein coupled receptor 139 Get druggable targets OG5_127863 All targets in OG5_127863
Schistosoma mansoni neuropeptide receptor Get druggable targets OG5_127863 All targets in OG5_127863
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus sex peptide receptor hypocretin (orexin) receptor 1 425 aa 350 aa 23.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase eta 0.0022 0.0119 0.0119
Schistosoma mansoni nuclear receptor 0.0021 0.0072 0.0128
Echinococcus multilocularis G protein coupled receptor 139 0.0128 0.3529 0.3529
Brugia malayi bZIP transcription factor family protein 0.01 0.2621 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0024 0.0024
Brugia malayi hypothetical protein 0.0019 0.0024 0.009
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0119 0.0453
Brugia malayi hypothetical protein 0.0078 0.1932 0.7371
Echinococcus granulosus lamin dm0 0.0026 0.0257 0.0257
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0044 0.0811 0.0811
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0044 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Onchocerca volvulus 0.0026 0.0257 0.1223
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0151 0.0151
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0044 0.0811 0.3203
Echinococcus multilocularis nuclear receptor nhr 48 0.0021 0.0072 0.0072
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0044 0.0811 0.0811
Schistosoma mansoni rab6-interacting 0.0019 0.0024 0.0042
Echinococcus granulosus thyroid hormone receptor alpha 0.0021 0.0072 0.0072
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0811 0.0811
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0044 0.0811 0.1445
Brugia malayi hypothetical protein 0.0023 0.0151 0.0577
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0044 0.0811 0.3095
Echinococcus granulosus geminin 0.0193 0.5617 0.5617
Echinococcus granulosus jun protein 0.01 0.2621 0.2621
Schistosoma mansoni lamin 0.0026 0.0257 0.0458
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 0.0409 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0597
Brugia malayi Steroid receptor seven-up type 2 0.0044 0.0811 0.3095
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0597
Echinococcus granulosus RUN 0.0019 0.0024 0.0024
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0021 0.0072 0.0254
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0119 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0021 0.0072 0.0128
Giardia lamblia DINP protein human, muc B family 0.0022 0.0119 0.0191
Entamoeba histolytica hypothetical protein 0.0035 0.0539 1
Leishmania major DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0044 0.0811 0.1445
Schistosoma mansoni pol-related 0.0031 0.0409 0.0728
Onchocerca volvulus Bile acid receptor homolog 0.0044 0.0811 0.4128
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1585 0.2821
Loa Loa (eye worm) hypothetical protein 0.0026 0.0257 0.1015
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0811 0.3095
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Brugia malayi RNA recognition motif domain containing protein 0.0068 0.1585 0.6045
Onchocerca volvulus 0.0031 0.0409 0.202
Trypanosoma brucei aldo-keto reductase, putative 0.0031 0.0409 1
Leishmania major aldo-keto reductase-like protein 0.0031 0.0409 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0113 0.0113
Brugia malayi nuclear receptor NHR-67 0.0021 0.0072 0.0275
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0113 0.5
Loa Loa (eye worm) oxidoreductase 0.0031 0.0409 0.1615
Echinococcus multilocularis jun protein 0.01 0.2621 0.2621
Brugia malayi hypothetical protein 0.0019 0.0024 0.009
Entamoeba histolytica aldose reductase, putative 0.0031 0.0409 0.6942
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0072 0.0072
Echinococcus multilocularis FTZ F1 alpha 0.0044 0.0811 0.0811
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0044 0.0811 0.0811
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Echinococcus granulosus dna polymerase kappa 0.0022 0.0119 0.0119
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Schistosoma mansoni loxhd1 0.0019 0.0024 0.0042
Schistosoma mansoni aldo-keto reductase 0.0031 0.0409 0.0728
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0044 0.0811 0.4128
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0044 0.0811 0.1445
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Toxoplasma gondii aldose reductase, putative 0.0031 0.0409 0.1032
Brugia malayi nuclear hormone receptor family member nhr-6 0.0021 0.0072 0.0275
Schistosoma mansoni hypothetical protein 0.0193 0.5617 1
Onchocerca volvulus 0.0026 0.0257 0.1223
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0024 0.0024
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0811 0.0811
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1585 0.2821
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0044 0.0811 0.3095
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0119 0.0132
Echinococcus multilocularis tar DNA binding protein 0.0068 0.1585 0.1585
Schistosoma mansoni coup transcription factor 0.0044 0.0811 0.1445
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0811 0.1445
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Echinococcus multilocularis RUN 0.0019 0.0024 0.0024
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0151 0.0577
Loa Loa (eye worm) oxidoreductase 0.0031 0.0409 0.1615
Echinococcus granulosus aldo keto reductase 0.0031 0.0409 0.0409
Echinococcus multilocularis aldo keto reductase 0.0031 0.0409 0.0409
Onchocerca volvulus 0.0031 0.0409 0.202
Schistosoma mansoni intermediate filament proteins 0.0026 0.0257 0.0458
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.0119 0.0191
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0024 0.0024
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0044 0.0811 0.0811
Brugia malayi nuclear receptor NHR-88 0.0044 0.0811 0.3095
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Brugia malayi hypothetical protein 0.0021 0.0072 0.0275
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0024 0.0024
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0044 0.0811 0.3095
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Onchocerca volvulus 0.0044 0.0811 0.4128
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Entamoeba histolytica aldose reductase, putative 0.0031 0.0409 0.6942
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0031 0.0409 1
Loa Loa (eye worm) RNA binding protein 0.0068 0.1585 0.6255
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0682 0.2603
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.127 0.4846
Loa Loa (eye worm) hypothetical protein 0.0026 0.0242 0.0954
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0044 0.0811 0.3095
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0044 0.0811 0.3203
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Brugia malayi hypothetical protein 0.0021 0.0072 0.0275
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0811 0.3095
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0044 0.0811 0.3095
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0151 0.0269
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0119 0.0191
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0119 0.0119
Echinococcus granulosus aldehyde reductase 0.0022 0.012 0.012
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0072 0.0275
Brugia malayi tailless protein 0.0021 0.0072 0.0275
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Entamoeba histolytica aldose reductase, putative 0.0031 0.0409 0.6942
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0093
Giardia lamblia Aldose reductase 0.0031 0.0409 1
Brugia malayi hypothetical protein 0.0023 0.0151 0.0577
Schistosoma mansoni ap endonuclease 0.0022 0.0113 0.0201
Plasmodium falciparum MO15-related protein kinase 0.0119 0.3232 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Schistosoma mansoni retinoic acid receptor RXR 0.0044 0.0811 0.1445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0044 0.0811 0.3203
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Mycobacterium ulcerans oxidoreductase 0.0031 0.0409 1
Echinococcus multilocularis aldo keto reductase 0.0031 0.0409 0.0409
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Echinococcus multilocularis neuropeptide receptor 0.0128 0.3529 0.3529
Onchocerca volvulus 0.0031 0.0409 0.202
Schistosoma mansoni zinc finger protein 0.0021 0.0072 0.0128
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Leishmania major DNA polymerase eta, putative 0.0022 0.0119 0.0191
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0119 0.0453
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0151 0.0269
Entamoeba histolytica hypothetical protein 0.0035 0.0539 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0119 0.0191
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0024 0.0024
Echinococcus granulosus lamin 0.0026 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0097 0.2533 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0021 0.0072 0.0128
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Brugia malayi nuclear hormone receptor 0.0021 0.0072 0.0275
Loa Loa (eye worm) hypothetical protein 0.0031 0.0409 0.1615
Echinococcus granulosus dna polymerase eta 0.0022 0.0119 0.0119
Brugia malayi Nuclear hormone receptor E75 0.0021 0.0072 0.0275
Schistosoma mansoni jun-related protein 0.0081 0.202 0.3597
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0539 0.096
Loa Loa (eye worm) oxidoreductase 0.0031 0.0409 0.1615
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Schistosoma mansoni lipoxygenase 0.008 0.1969 0.3506
Brugia malayi Doublecortin family protein 0.0019 0.0024 0.009
Loa Loa (eye worm) hypothetical protein 0.0019 0.0024 0.0093
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0119 0.0469
Schistosoma mansoni thyroid hormone receptor 0.0044 0.0811 0.1445
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Echinococcus multilocularis aldehyde reductase 0.0022 0.012 0.012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0044 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Echinococcus granulosus hypothetical protein 0.0031 0.0409 0.0409
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0021 0.0072 0.0072
Schistosoma mansoni steroid hormone receptor ad4bp 0.0044 0.0811 0.1445
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0044 0.0811 0.3095
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0597
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Brugia malayi nuclear receptor NHR-88 0.0021 0.0072 0.0275
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0044 0.0811 0.1445
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0811 0.3095
Loa Loa (eye worm) steroid hormone receptor 0.0044 0.0811 0.3203
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0119 0.0191
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.0119 0.0191
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Onchocerca volvulus 0.0048 0.0962 0.4916
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0072 0.0072
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.004 0.0682 0.2693
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1585 0.2821
Brugia malayi intermediate filament protein 0.0026 0.0257 0.0981
Schistosoma mansoni RAR-like nuclear receptor 0.0044 0.0811 0.1445
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0119 0.0191
Schistosoma mansoni nuclear receptor nhr-48 0.0021 0.0072 0.0128
Echinococcus granulosus FTZ F1 alpha 0.0044 0.0811 0.0811
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0044 0.0811 0.0811
Brugia malayi hypothetical protein 0.0035 0.0539 0.2058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0044 0.0811 0.3203
Echinococcus granulosus neuropeptide receptor 0.0128 0.3529 0.3529
Schistosoma mansoni hypothetical protein 0.0193 0.5617 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0409 0.156
Schistosoma mansoni nuclear receptor 0.0021 0.0072 0.0128
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0539 0.0539
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0044 0.0811 0.1445
Trypanosoma brucei unspecified product 0.0022 0.0119 0.0191
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0151 0.0597
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0409 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.127 0.5014
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1585 0.2821
Brugia malayi photoreceptor-specific nuclear receptor 0.0044 0.0811 0.3095
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Echinococcus granulosus nuclear receptor nhr 48 0.0021 0.0072 0.0072
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0409 0.156
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0257 0.0981
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0021 0.0072 0.0285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0044 0.0811 0.3203
Loa Loa (eye worm) oxidoreductase 0.0031 0.0409 0.1615
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0119 0.3232 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0119 0.0191
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0151 0.0577
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Schistosoma mansoni ap endonuclease 0.0022 0.0113 0.0201
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0044 0.0811 0.3095
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0021 0.0072 0.0072
Brugia malayi orphan nuclear receptor NR2E1 0.0021 0.0072 0.0275
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.1585 0.6255
Onchocerca volvulus 0.0021 0.0072 0.0254
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0044 0.0811 0.3203
Schistosoma mansoni hypothetical protein 0.004 0.0682 0.1215
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0119 0.0211
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0113 0.0113
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0021 0.0072 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Schistosoma mansoni lamin 0.0026 0.0257 0.0458
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0113 0.0279
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0021 0.0072 0.0275
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Trypanosoma brucei prostaglandin f synthase 0.0031 0.0409 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Leishmania major prostaglandin f synthase, putative 0.0031 0.0409 1
Echinococcus multilocularis tumor protein p63 0.033 1 1
Brugia malayi nuclear hormone receptor 0.0044 0.0811 0.3095
Brugia malayi steroid hormone receptor 0.0044 0.0811 0.3095
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0113 0.0279
Brugia malayi nuclear receptor RXR 0.0023 0.0151 0.0577
Schistosoma mansoni hypothetical protein 0.0035 0.0539 0.096
Onchocerca volvulus 0.0031 0.0409 0.202
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 0.0409 1
Entamoeba histolytica hypothetical protein 0.0035 0.0539 1
Onchocerca volvulus 0.0021 0.0072 0.0254
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0539 0.0539
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.01 0.2621 0.2621
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0044 0.0811 0.3095
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Brugia malayi ecdysone receptor 0.0021 0.0072 0.0275
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0962 0.1712
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0257 0.1015
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0024 0.0024
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.307 0.307
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0597
Loa Loa (eye worm) hypothetical protein 0.0048 0.0962 0.3797
Schistosoma mansoni tar DNA-binding protein 0.0068 0.1585 0.2821
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0044 0.0811 0.1445
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0409 1
Loa Loa (eye worm) DR-78 0.0021 0.0072 0.0285
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0021 0.0072 0.0254
Schistosoma mansoni rab6-interacting 0.0019 0.0024 0.0042
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0151 0.0151
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0119 0.0191
Brugia malayi RNA binding protein 0.0068 0.1585 0.6045
Brugia malayi Nuclear hormone receptor-like 1 0.0044 0.0811 0.3095
Onchocerca volvulus 0.0031 0.0409 0.202
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0044 0.0811 0.0811
Schistosoma mansoni hypothetical protein 0.0081 0.202 0.3597
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.01 0.2621 0.2621
Trypanosoma cruzi aldo/keto reductase, putative 0.0031 0.0409 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0151 0.0597
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0119 0.0191
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0031 0.0409 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0409 1
Schistosoma mansoni lipoxygenase 0.0114 0.307 0.5466
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0072 0.0128
Brugia malayi ecdysteroid receptor 0.0044 0.0811 0.3095
Echinococcus granulosus intermediate filament protein 0.0026 0.0257 0.0257
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Echinococcus granulosus ecdysone induced protein 78C 0.0044 0.0811 0.0811
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0285
Schistosoma mansoni nuclear hormone receptor 0.0044 0.0811 0.1445
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0409 1
Echinococcus multilocularis geminin 0.0193 0.5617 0.5617
Schistosoma mansoni aldo-keto reductase 0.0031 0.0409 0.0728
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0119 0.0191
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0072 0.0128
Brugia malayi conserved hypotetical protein 0.0021 0.0072 0.0275
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Echinococcus multilocularis musashi 0.0026 0.0257 0.0257
Echinococcus multilocularis aldo keto reductase 0.0031 0.0409 0.0409
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0119 0.0211
Schistosoma mansoni polycystin 1-related 0.0019 0.0024 0.0042
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Loa Loa (eye worm) nuclear receptor NHR-67 0.0021 0.0072 0.0285
Schistosoma mansoni neuropeptide receptor 0.0128 0.3529 0.6284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0044 0.0811 0.3203
Echinococcus granulosus aldo keto reductase 0.0031 0.0409 0.0409
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Onchocerca volvulus 0.0031 0.0409 0.202
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.127 0.4846
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0113 0.0431
Echinococcus granulosus aldo keto reductase 0.0031 0.0409 0.0409
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0031 0.0409 0.0409
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0024 0.0093
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Loa Loa (eye worm) hypothetical protein 0.0022 0.0119 0.0469
Onchocerca volvulus 0.0078 0.1932 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.307 0.307
Echinococcus granulosus Nuclear hormone receptor HR96 0.0021 0.0072 0.0072
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0044 0.0811 0.0811
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0044 0.0811 0.3095
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0044 0.0811 0.3095
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0044 0.0811 0.0811
Echinococcus multilocularis ecdysone induced protein 78C 0.0044 0.0811 0.0811
Echinococcus granulosus tar DNA binding protein 0.0068 0.1585 0.1585
Echinococcus multilocularis lamin dm0 0.0026 0.0257 0.0257
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0119 0.0191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.127 0.5014
Loa Loa (eye worm) hypothetical protein 0.0044 0.0811 0.3203
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0031 0.0409 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0072 0.0072
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0031 0.0409 0.0409
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0119 0.0119
Brugia malayi nuclear receptor RXR 0.0021 0.0072 0.0275
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Loa Loa (eye worm) oxidoreductase 0.0031 0.0409 0.1615
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0119 0.0191
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.0111 0.298 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0031 0.0409 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0044 0.0811 0.0811
Onchocerca volvulus Protein ultraspiracle homolog 0.0044 0.0811 0.4128
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0409 0.156
Brugia malayi nuclear hormone receptor family member odr-7 0.0021 0.0072 0.0275
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0119 0.0119
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0.0409 0.156
Entamoeba histolytica hypothetical protein 0.0035 0.0539 1
Brugia malayi TAR-binding protein 0.0068 0.1585 0.6045
Trichomonas vaginalis aldo-keto reductase, putative 0.0031 0.0409 1
Loa Loa (eye worm) nuclear hormone receptor 0.0021 0.0072 0.0285
Schistosoma mansoni DNA polymerase eta 0.0022 0.0119 0.0211
Trypanosoma cruzi aldo-keto reductase 0.0031 0.0409 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.1585 0.6255
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0257 0.1015
Giardia lamblia Aldose reductase 0.0031 0.0409 1
Echinococcus multilocularis aldo keto reductase 0.0031 0.0409 0.0409
Schistosoma mansoni hypothetical protein 0.0019 0.0024 0.0042
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0044 0.0811 0.0811
Echinococcus multilocularis lamin 0.0026 0.0257 0.0257
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0113 0.0446
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0113 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 52 nM Inhibition of OX1 receptor ChEMBL. 19199652
IC50 (binding) = 240 nM Inhibition of OX2 receptor ChEMBL. 19199652

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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