Detailed information for compound 1407892

Basic information

Technical information
  • TDR Targets ID: 1407892
  • Name: 1-(4-nitrophenyl)-2,4,6-triphenylpyridin-1-iu m perchlorate
  • MW: 528.94 | Formula: C29H21ClN2O6
  • H donors: 1 H acceptors: 6 LogP: 9.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: [O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccc(cc1)[n+]1c(cc(cc1c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C29H21N2O2.ClHO4/c32-31(33)27-18-16-26(17-19-27)30-28(23-12-6-2-7-13-23)20-25(22-10-4-1-5-11-22)21-29(30)24-14-8-3-9-15-24;2-1(3,4)5/h1-21H;(H,2,3,4,5)/q+1;/p-1
  • InChiKey: POUZNOJKSRCZTE-UHFFFAOYSA-M  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-nitrophenyl)-2,4,6-triphenyl-pyridin-1-ium perchlorate
  • 1-(4-Nitro-phenyl)-2,4,6-triphenyl-pyridinium

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens corticotropin releasing hormone receptor 2 No references
Homo sapiens corticotropin releasing hormone binding protein No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus 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
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis muscleblind protein 1 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
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 2 438 aa 383 aa 26.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
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
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0117 0.186 0.186
Plasmodium falciparum cysteine proteinase falcipain 1 0.0309 0.516 0.4054
Plasmodium vivax vivapain-1 0.0309 0.516 0.4054
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0117 0.186 0.185
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Brugia malayi nuclear hormone receptor 0.0012 0.0074 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Loa Loa (eye worm) hypothetical protein 0.0193 0.3165 0.3132
Brugia malayi glutaminase DH11.1 0.033 0.5515 0.5494
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0074 0.0025
Loa Loa (eye worm) glutaminase 2 0.033 0.5515 0.5493
Brugia malayi cathepsin B-like cysteine proteinase 0.0405 0.6797 0.6782
Schistosoma mansoni hypothetical protein 0.0041 0.057 0.0558
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0074 0.0025
Loa Loa (eye worm) hypothetical protein 0.0399 0.67 0.6684
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0074 0.0062
Echinococcus multilocularis cpg binding protein 0.0037 0.0493 0.0481
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0309 0.516 0.5154
Echinococcus granulosus muscleblind protein 0.018 0.2953 0.2944
Echinococcus granulosus cathepsin l1 0.0399 0.67 0.6696
Entamoeba histolytica cysteine proteinase 2 0.0309 0.516 0.4054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0074 0.0062
Schistosoma mansoni cathepsin s 0.0193 0.3165 0.3157
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0074 0.0062
Schistosoma mansoni cpg binding protein 0.0035 0.0459 0.0447
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0074 0.0025
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0206 0.3387 0.3379
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0074 0.0062
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Brugia malayi steroid hormone receptor 0.0012 0.0074 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0399 0.67 0.67
Toxoplasma gondii cathepsin CPC1 0.0117 0.186 0.0966
Trichomonas vaginalis conserved hypothetical protein 0.0117 0.186 0.186
Brugia malayi Cathepsin L-like cysteine proteinase 0.0399 0.67 0.6685
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0074 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0399 0.67 0.67
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0192 0.0143
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Trypanosoma cruzi cruzipain precursor, putative 0.0193 0.3165 0.1603
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0309 0.516 0.5154
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0074 0.0062
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0049 0.0036
Schistosoma mansoni cathepsin B (C01 family) 0.0117 0.186 0.185
Plasmodium vivax vivapain-3 0.0309 0.516 0.4054
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0459 0.0412
Entamoeba histolytica cysteine proteinase 1, putative 0.0309 0.516 0.4054
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0117 0.186 0.185
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Onchocerca volvulus Cathepsin L homolog 0.0117 0.186 0.1799
Trichomonas vaginalis conserved hypothetical protein 0.0117 0.186 0.186
Schistosoma mansoni cathepsin C 0.0117 0.186 0.185
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0074 0.0062
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Brugia malayi cathepsin F-like cysteine proteinase 0.0193 0.3165 0.3133
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0309 0.516 0.2681
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0074 0.0025
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0117 0.186 0.186
Brugia malayi Papain family cysteine protease containing protein 0.0309 0.516 0.5137
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.001 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.2953 0.2918
Giardia lamblia Cathepsin B precursor 0.0206 0.3387 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0117 0.186 0.182
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0074 0.0062
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0074 0.0062
Echinococcus multilocularis cathepsin b 0.0405 0.6797 0.6793
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0074 0.0062
Onchocerca volvulus 0.0035 0.0459 0.0388
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.3361 0.3352
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0074 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0117 0.186 0.186
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0074 0.0062
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0074 0.0028
Trypanosoma cruzi cysteine peptidase, putative 0.0193 0.3165 0.1603
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0074 0.0062
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0309 0.516 0.2681
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Giardia lamblia Cathepsin B precursor 0.0206 0.3387 1
Onchocerca volvulus 0.0399 0.67 0.6675
Entamoeba histolytica cysteine proteinase, putative 0.0309 0.516 0.4054
Schistosoma mansoni hypothetical protein 0.0019 0.0192 0.0179
Brugia malayi Cathepsin L-like precursor 0.0399 0.67 0.6685
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0117 0.186 0.182
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0049 0.0036
Schistosoma mansoni ferritin 0.001 0.0041 0.0028
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0405 0.6797 0.6793
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0074 0.0028
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0192 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0074 0.0028
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0074 0.0025
Brugia malayi nuclear receptor NHR-88 0.0012 0.0074 0.0028
Schistosoma mansoni cpg binding protein 0.0037 0.0493 0.0481
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.001 0.0041 0.5
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0192 0.0145
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0117 0.186 0.186
Trypanosoma cruzi cysteine peptidase, putative 0.0309 0.516 0.4054
Loa Loa (eye worm) hypothetical protein 0.0193 0.3165 0.3132
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Mycobacterium tuberculosis Bacterioferritin BfrB 0.001 0.0041 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0074 0.0062
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Onchocerca volvulus 0.0117 0.186 0.1799
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Loa Loa (eye worm) cathepsin B 0.0206 0.3387 0.3354
Echinococcus granulosus cpg binding protein 0.0037 0.0493 0.0481
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0074 0.0028
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0074 0.0062
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0117 0.186 0.185
Loa Loa (eye worm) hypothetical protein 0.0399 0.67 0.6684
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0074 0.0062
Brugia malayi CXXC zinc finger family protein 0.0035 0.0459 0.0414
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.186 0.1822
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Echinococcus multilocularis cathepsin L 0.0117 0.186 0.185
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0193 0.3165 0.3133
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0074 0.0062
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0117 0.186 0.185
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0117 0.186 0.186
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.186 0.1822
Giardia lamblia Cathepsin B precursor 0.0206 0.3387 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0192 0.0143
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0896 0.0853
Brugia malayi Cathepsin L-like precursor 0.0193 0.3165 0.3133
Trichomonas vaginalis glutaminase, putative 0.033 0.5515 0.5515
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0117 0.186 0.185
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Schistosoma mansoni ferritin 0.001 0.0041 0.0028
Schistosoma mansoni hypothetical protein 0.0019 0.0192 0.0179
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0074 0.0062
Schistosoma mansoni hypothetical protein 0.0019 0.0192 0.0179
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0074 0.0062
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.186 0.186
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0074 0.0028
Schistosoma mansoni apoferritin-2 0.001 0.0041 0.0028
Schistosoma mansoni hypothetical protein 0.0019 0.0192 0.0179
Plasmodium vivax unspecified product 0.0193 0.3165 0.1603
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0074 0.0062
Treponema pallidum bacterioferrin (TpF1) 0.001 0.0041 0.5
Schistosoma mansoni apoferritin-2 0.001 0.0041 0.0028
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0117 0.186 0.186
Toxoplasma gondii cathepsin B 0.0206 0.3387 0.2661
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0405 0.6797 0.6793
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0074 0.0028
Toxoplasma gondii cathepsin CPC2 0.0117 0.186 0.0966
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Echinococcus granulosus GPCR family 2 0.0019 0.0192 0.0179
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0117 0.186 0.186
Loa Loa (eye worm) hypothetical protein 0.0399 0.67 0.6684
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0074 0.0025
Echinococcus granulosus expressed protein 0.001 0.0041 0.0028
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0206 0.3387 0.1876
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0245 0.4065 0.4037
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0074 0.0028
Echinococcus granulosus cathepsin L 0.0309 0.516 0.5154
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0074 0.0062
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0074 0.0062
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0074 0.0062
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0074 0.0062
Entamoeba histolytica cysteine proteinase, putative 0.0399 0.67 0.5946
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0074 0.0062
Loa Loa (eye worm) glutaminase 0.033 0.5515 0.5493
Entamoeba histolytica cysteine proteinase, putative 0.0309 0.516 0.4054
Brugia malayi cathepsin Z-like cysteine proteinase 0.0117 0.186 0.1822
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Loa Loa (eye worm) hypothetical protein 0.018 0.2953 0.2918
Loa Loa (eye worm) hypothetical protein 0.0405 0.6797 0.6781
Echinococcus granulosus cathepsin L 0.0117 0.186 0.185
Brugia malayi Papain family cysteine protease containing protein 0.0309 0.516 0.5137
Echinococcus multilocularis muscleblind protein 0.018 0.2953 0.2944
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0074 0.0062
Schistosoma mansoni ferritin 0.001 0.0041 0.0028
Schistosoma mansoni cathepsin F (C01 family) 0.0399 0.67 0.6696
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0309 0.516 0.4054
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0896 0.0851
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0309 0.516 0.5154
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0309 0.516 0.516
Echinococcus granulosus cathepsin b 0.0405 0.6797 0.6793
Trypanosoma cruzi cysteine proteinase, putative 0.0309 0.516 0.4054
Schistosoma mansoni coup transcription factor 0.0012 0.0074 0.0062
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0074 0.0062
Echinococcus multilocularis cathepsin b 0.0405 0.6797 0.6793
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Schistosoma mansoni ferritin 0.001 0.0041 0.0028
Mycobacterium ulcerans glutaminase 0.033 0.5515 1
Echinococcus multilocularis expressed protein 0.001 0.0041 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0074 0.0025
Echinococcus granulosus cathepsin b 0.0405 0.6797 0.6793
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Schistosoma mansoni cathepsin S (C01 family) 0.0117 0.186 0.185
Schistosoma mansoni ferritin light chain 0.001 0.0041 0.0028
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0117 0.186 0.185
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0074 0.0028
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0117 0.186 0.1822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0074 0.0025
Entamoeba histolytica cysteine proteinase, putative 0.0309 0.516 0.4054
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0074 0.0062
Brugia malayi cathepsin L-like precursor 0.0399 0.67 0.6685
Brugia malayi ecdysteroid receptor 0.0012 0.0074 0.0028
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0405 0.6797 0.6793
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0117 0.186 0.185
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.001 0.0041 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0074 0.0062
Brugia malayi Papain family cysteine protease containing protein 0.0117 0.186 0.1822
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0074 0.0028
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Brugia malayi fibroinase precursor 0.0117 0.186 0.1822
Plasmodium vivax unspecified product 0.0309 0.516 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0206 0.3387 0.3387
Brugia malayi Muscleblind-like protein 0.018 0.2953 0.292
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0399 0.67 0.5946
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1124 0.1113
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0117 0.186 0.185
Entamoeba histolytica cysteine proteinase, putative 0.0309 0.516 0.4054
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.057 0.0525
Trypanosoma cruzi cysteine proteinase, putative 0.0309 0.516 0.4054
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0074 0.0062
Entamoeba histolytica cysteine protease, putative 0.0309 0.516 0.4054
Schistosoma mansoni cpg binding protein 0.0037 0.0493 0.0481
Echinococcus multilocularis cathepsin L 0.0309 0.516 0.5154
Loa Loa (eye worm) hypothetical protein 0.0193 0.3165 0.3132
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0405 0.6797 0.6793
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0074 0.0062
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0117 0.186 0.186
Schistosoma mansoni ferritin light chain 0.001 0.0041 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0074 0.0028
Brugia malayi Cathepsin L-like precursor 0.0399 0.67 0.6685
Echinococcus granulosus cathepsin L cysteine protease 0.0309 0.516 0.5154
Toxoplasma gondii preprocathepsin c precursor, putative 0.0117 0.186 0.0966
Brugia malayi cathepsin L precursor 0.0117 0.186 0.1822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0074 0.0028
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0192 0.0179
Brugia malayi cathepsin L-like cysteine proteinase 0.0117 0.186 0.1822
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0192 0.0145
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0117 0.186 0.182
Echinococcus multilocularis muscleblind protein 1 0.018 0.2953 0.2944
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Loa Loa (eye worm) hypothetical protein 0.0041 0.057 0.0523
Brugia malayi cathepsin F-like cysteine proteinase 0.0117 0.186 0.1822
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Echinococcus granulosus ferritin 0.001 0.0041 0.0028
Echinococcus multilocularis ferritin 0.001 0.0041 0.0028
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.186 0.186
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0117 0.186 0.186
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0193 0.3165 0.3132
Brugia malayi cathepsin Z-like cysteine proteinase 0.0117 0.186 0.1822
Echinococcus granulosus cysteine protease 0.0309 0.516 0.5154
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0074 0.0028
Loa Loa (eye worm) hypothetical protein 0.0245 0.4065 0.4036
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0074 0.0062
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.3361 0.3352
Echinococcus multilocularis GPCR, family 2 0.0019 0.0192 0.0179
Loa Loa (eye worm) hypothetical protein 0.0012 0.0074 0.0025
Schistosoma mansoni glutaminase 0.033 0.5515 0.5509
Trypanosoma cruzi cysteine protease, putative 0.0309 0.516 0.4054
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0117 0.186 0.185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0309 0.516 0.516
Trichomonas vaginalis ferritin, putative 0.001 0.0041 0.0041
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0074 0.0028
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0405 0.6797 0.6065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0117 0.186 0.186
Loa Loa (eye worm) hypothetical protein 0.0117 0.186 0.182
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0074 0.0028

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.02 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule agonists of the CRF-binding protein and CRF-R2 receptor complex. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (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) = 14.1254 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
Potency (binding) = 14.1254 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 (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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