Detailed information for compound 1417820

Basic information

Technical information
  • TDR Targets ID: 1417820
  • Name: T5595557
  • MW: 369.414 | Formula: C20H23N3O4
  • H donors: 2 H acceptors: 3 LogP: 3.69 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNc1ccc(cc1C(=O)NC1CCCc2c1cccc2)[N+](=O)[O-]
  • InChi: 1S/C20H23N3O4/c1-27-12-11-21-18-10-9-15(23(25)26)13-17(18)20(24)22-19-8-4-6-14-5-2-3-7-16(14)19/h2-3,5,7,9-10,13,19,21H,4,6,8,11-12H2,1H3,(H,22,24)
  • InChiKey: KMCVDMYSVHRKIF-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 muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 5, group A, member 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 5, group A, member 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein Get druggable targets OG5_131813 All targets in OG5_131813
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus FTZ F1 alpha Get druggable targets OG5_149993 All targets in OG5_149993
Echinococcus multilocularis FTZ F1 alpha Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K08027 nuclear receptor, subfamily 5, group A, member 2, putative Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein nuclear receptor subfamily 5, group A, member 2 469 aa 431 aa 22.5 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus FTZ F1 nuclear receptor protein nuclear receptor subfamily 5, group A, member 1 461 aa 460 aa 32.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0486 0.308 0.308
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.1055 0.6834 1
Schistosoma mansoni hypothetical protein 0.1049 0.6797 0.9945
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0035 0.011 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0035 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0373 0.2338 0.2338
Loa Loa (eye worm) hypothetical protein 0.1535 1 1
Echinococcus multilocularis transcription factor btf3 0.0041 0.0144 0.0211
Onchocerca volvulus 0.0042 0.0152 0.0307
Schistosoma mansoni hypothetical protein 0.0486 0.308 0.4506
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0112 0.0613 0.0701
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0035 0.011 0.0161
Schistosoma mansoni steroid hormone receptor ad4bp 0.0035 0.011 0.0161
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0152 0.2615
Echinococcus multilocularis musashi 0.0031 0.0083 0.0122
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.011 0.011
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0152 0.0223
Loa Loa (eye worm) hypothetical protein 0.018 0.1066 0.1066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0486 0.308 0.4506
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.1055 0.6834 0.6834
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.011 0.0161
Brugia malayi isocitrate dehydrogenase 0.0112 0.0613 0.0613
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 0.5
Echinococcus granulosus transcription factor btf3 0.0041 0.0144 0.0211
Schistosoma mansoni retinoic acid receptor RXR 0.0035 0.011 0.0161
Loa Loa (eye worm) hypothetical protein 0.0031 0.0083 0.0083
Echinococcus multilocularis FTZ F1 alpha 0.0134 0.076 0.1112
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0112 0.0613 1
Entamoeba histolytica transcription factor BTF3, putative 0.0041 0.0144 0.5
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0692 0.4437 1
Loa Loa (eye worm) steroid hormone receptor 0.0035 0.011 0.011
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0692 0.4437 0.6413
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0486 0.308 0.4506
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0155 0.032
Schistosoma mansoni RAR-like nuclear receptor 0.0035 0.011 0.0161
Schistosoma mansoni hypothetical protein 0.0486 0.308 0.4506
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.0316 0.3654
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0035 0.011 0.0161
Schistosoma mansoni intermediate filament proteins 0.0031 0.0083 0.0122
Echinococcus multilocularis chromobox protein 1 0.0075 0.0373 0.0546
Loa Loa (eye worm) isocitrate dehydrogenase 0.0112 0.0613 0.0613
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0316 0.0462
Brugia malayi latrophilin 2 splice variant baaae 0.1049 0.6797 0.6797
Onchocerca volvulus 0.0042 0.0152 0.0307
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Brugia malayi Steroid receptor seven-up type 2 0.0035 0.011 0.011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0035 0.011 0.0161
Onchocerca volvulus Huntingtin homolog 0.0142 0.0814 0.3241
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0364 0.2274 0.3183
Brugia malayi RNA binding protein 0.0585 0.3735 0.3735
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.0814 0.0814
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0035 0.011 0.0161
Echinococcus multilocularis muscleblind protein 1 0.018 0.1066 0.156
Schistosoma mansoni thyroid hormone receptor 0.0035 0.011 0.0161
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0486 0.308 0.4506
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0112 0.0613 0.0897
Loa Loa (eye worm) hypothetical protein 0.0134 0.076 0.076
Brugia malayi Isocitrate dehydrogenase 0.0112 0.0613 0.0613
Echinococcus multilocularis muscleblind protein 0.018 0.1066 0.156
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0035 0.011 0.011
Loa Loa (eye worm) latrophilin receptor protein 2 0.0486 0.308 0.308
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0083 0.0083
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0112 0.0613 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0112 0.0613 0.0897
Loa Loa (eye worm) hypothetical protein 0.0033 0.0095 0.0095
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Schistosoma mansoni hypothetical protein 0.0486 0.308 0.4506
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.1055 0.6834 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0035 0.011 0.0161
Loa Loa (eye worm) RNA binding protein 0.0585 0.3735 0.3735
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0152 0.017
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0152 0.017
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0176 0.3419
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.1055 0.6834 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0613 1
Brugia malayi Latrophilin receptor protein 2 0.0486 0.308 0.308
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0035 0.011 0.011
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0035 0.011 0.011
Brugia malayi photoreceptor-specific nuclear receptor 0.0035 0.011 0.011
Onchocerca volvulus 0.0042 0.0152 0.0307
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0373 0.0373
Schistosoma mansoni coup transcription factor 0.0035 0.011 0.0161
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0035 0.011 0.011
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0176 0.0413
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0613 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0035 0.011 0.011
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0134 0.076 0.1112
Toxoplasma gondii ABC1 family protein 0.0042 0.0152 0.0012
Loa Loa (eye worm) hypothetical protein 0.0042 0.0155 0.0155
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0083 0.0083
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.0316 0.0462
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0144 0.235
Onchocerca volvulus 0.0035 0.011 0.0118
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0112 0.0613 0.0897
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0267 0.1636 0.3463
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 0.076 0.076
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0152 0.0152
Schistosoma mansoni lamin 0.0031 0.0083 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0585 0.3735 0.5466
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0155 0.2714
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.011 0.011
Schistosoma mansoni tar DNA-binding protein 0.0585 0.3735 0.5466
Toxoplasma gondii isocitrate dehydrogenase 0.0112 0.0613 0.0701
Schistosoma mansoni hypothetical protein 0.0099 0.0527 0.0772
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0613 0.0897
Leishmania major hypothetical protein, conserved 0.0042 0.0152 0.017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0035 0.011 0.011
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0373 0.2338 1
Echinococcus multilocularis GPCR, family 2 0.0486 0.308 0.4506
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.011 0.0161
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0692 0.4437 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0035 0.011 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0035 0.011 0.011
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0152 0.2615
Echinococcus multilocularis peptidase Clp (S14 family) 0.0692 0.4437 0.6493
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Brugia malayi RNA recognition motif domain containing protein 0.0585 0.3735 0.3735
Echinococcus granulosus ecdysone induced protein 78C 0.0035 0.011 0.0161
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0134 0.076 0.1112
Echinococcus granulosus chromobox protein 1 0.0075 0.0373 0.0546
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0152 0.2615
Onchocerca volvulus 0.0033 0.0095 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0035 0.011 0.011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0152 0.0223
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 0.5
Loa Loa (eye worm) hypothetical protein 0.0486 0.308 0.308
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0035 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0486 0.308 0.4506
Onchocerca volvulus Protein ultraspiracle homolog 0.0035 0.011 0.0118
Brugia malayi beta-lactamase 0.0042 0.0152 0.0152
Loa Loa (eye worm) hypothetical protein 0.0142 0.0814 0.0814
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.1055 0.6834 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0613 0.0897
Brugia malayi steroid hormone receptor 0.0035 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0031 0.0079 0.0079
Schistosoma mansoni chromobox protein 0.0075 0.0373 0.0546
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0112 0.0613 1
Toxoplasma gondii isocitrate dehydrogenase 0.0112 0.0613 0.0701
Brugia malayi beta-NAC-like protein 0.0041 0.0144 0.0144
Echinococcus multilocularis ecdysone induced protein 78C 0.0035 0.011 0.0161
Brugia malayi nuclear hormone receptor 0.0035 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0144 0.235
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0152 0.0223
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0585 0.3735 0.3735
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0083 0.0083
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0035 0.011 0.0161
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0373 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Schistosoma mansoni tar DNA-binding protein 0.0585 0.3735 0.5466
Schistosoma mansoni hypothetical protein 0.0486 0.308 0.4506
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0155 0.2714
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 0.5
Brugia malayi beta-lactamase family protein 0.0042 0.0152 0.0152
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0035 0.011 0.0161
Schistosoma mansoni peptidase Clp (S14 family) 0.1055 0.6834 1
Brugia malayi Probable ClpP-like protease 0.1055 0.6834 0.6834
Schistosoma mansoni tar DNA-binding protein 0.0585 0.3735 0.5466
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0134 0.076 0.1112
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0112 0.0613 0.0897
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0134 0.076 0.076
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0364 0.2274 0.3183
Brugia malayi chromobox protein homolog 3 0.0042 0.0155 0.0155
Toxoplasma gondii hypothetical protein 0.0364 0.2274 0.3183
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0152 0.0012
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0152 0.017
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0286 0.0286
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0152 0.0152
Echinococcus granulosus tar DNA binding protein 0.0585 0.3735 0.5466
Echinococcus granulosus FTZ F1 alpha 0.05 0.3172 0.4642
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0035 0.011 0.0161
Onchocerca volvulus Bile acid receptor homolog 0.0035 0.011 0.0118
Schistosoma mansoni transcription factor btf3 0.0041 0.0144 0.0211
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0035 0.011 0.011
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0144 0.235
Brugia malayi N-terminal motif family protein 0.0373 0.2338 0.2338
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0112 0.0613 0.0701
Echinococcus granulosus chromobox protein 1 0.0075 0.0373 0.0546
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0035 0.011 0.0118
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1535 1 1
Trichomonas vaginalis esterase, putative 0.0042 0.0152 0.2615
Echinococcus granulosus muscleblind protein 0.018 0.1066 0.156
Echinococcus multilocularis lamin dm0 0.0031 0.0083 0.0122
Entamoeba histolytica hypothetical protein 0.0041 0.0144 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Brugia malayi Muscleblind-like protein 0.018 0.1066 0.1066
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0152 0.2615
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0112 0.0613 0.0897
Brugia malayi Nuclear hormone receptor-like 1 0.0035 0.011 0.011
Brugia malayi hypothetical protein 0.0142 0.0814 0.0814
Echinococcus granulosus peptidase Clp S14 family 0.0692 0.4437 0.6493
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0035 0.011 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0035 0.011 0.011
Brugia malayi nuclear receptor NHR-88 0.0035 0.011 0.011
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0112 0.0613 0.1076
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0316 0.0462
Brugia malayi ecdysteroid receptor 0.0035 0.011 0.011
Schistosoma mansoni tar DNA-binding protein 0.0585 0.3735 0.5466
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0035 0.011 0.011
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0373 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0152 0.0223
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0316 0.0316
Loa Loa (eye worm) ICD-1 protein 0.0041 0.0144 0.0144
Schistosoma mansoni nuclear hormone receptor 0.0035 0.011 0.0161
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Brugia malayi intermediate filament protein 0.0031 0.0083 0.0083
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Loa Loa (eye worm) beta-lactamase 0.0042 0.0152 0.0152
Onchocerca volvulus Huntingtin homolog 0.0142 0.0814 0.3241
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0364 0.2274 0.3175
Loa Loa (eye worm) hypothetical protein 0.018 0.1066 0.1066
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0035 0.011 0.0161
Loa Loa (eye worm) TAR-binding protein 0.0585 0.3735 0.3735
Echinococcus multilocularis thyroid hormone receptor alpha 0.0035 0.011 0.0161
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0152 0.2615
Brugia malayi TAR-binding protein 0.0585 0.3735 0.3735
Echinococcus multilocularis chromobox protein 1 0.0075 0.0373 0.0546
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0035 0.011 0.011
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0316 0.0245
Schistosoma mansoni thyroid hormone receptor 0.0035 0.011 0.0161
Loa Loa (eye worm) hypothetical protein 0.1049 0.6797 0.6797
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0035 0.011 0.0161
Echinococcus granulosus lamin 0.0031 0.0083 0.0122
Brugia malayi beta-lactamase family protein 0.0042 0.0152 0.0152
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0316 0.0381
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0035 0.011 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0035 0.011 0.011
Echinococcus granulosus GPCR family 2 0.0486 0.308 0.4506
Brugia malayi Heterochromatin protein 1 0.0075 0.0373 0.0373
Echinococcus granulosus lamin dm0 0.0031 0.0083 0.0122
Schistosoma mansoni chromobox protein 0.0075 0.0373 0.0546
Loa Loa (eye worm) hypothetical protein 0.0042 0.0152 0.0152
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0316 0.0245
Brugia malayi Calcitonin receptor-like protein seb-1 0.1535 1 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0176 0.3419
Loa Loa (eye worm) hypothetical protein 0.0035 0.011 0.011
Echinococcus multilocularis lamin 0.0031 0.0083 0.0122
Echinococcus granulosus intermediate filament protein 0.0031 0.0083 0.0122
Schistosoma mansoni lamin 0.0031 0.0083 0.0122
Echinococcus multilocularis tar DNA binding protein 0.0585 0.3735 0.5466
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.1055 0.6834 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0035 0.011 0.011

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 5.526 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inverse agonists of the Steroidogenic Factor 1 Nuclear Receptor (SF1; NR5A1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 9.501 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 35.868 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 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) 70.7946 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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