Detailed information for compound 1219215

Basic information

Technical information
  • TDR Targets ID: 1219215
  • Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3- methoxyphenyl]-[4-(4-nitrophenyl)piperazin-1- yl]methanone
  • MW: 466.486 | Formula: C24H26N4O6
  • H donors: 0 H acceptors: 4 LogP: 3.49 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OCc1c(C)noc1C)C(=O)N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C24H26N4O6/c1-16-21(17(2)34-25-16)15-33-22-9-4-18(14-23(22)32-3)24(29)27-12-10-26(11-13-27)19-5-7-20(8-6-19)28(30)31/h4-9,14H,10-13,15H2,1-3H3
  • InChiKey: NETXNOQWXHTSOD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-[(3,5-dimethylisoxazol-4-yl)methoxy]-3-methoxy-phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
  • [4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-3-methoxyphenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone
  • [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
  • T5288121
  • MLS000567095
  • SMR000153852

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0121 0.2088 0.8844
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0357 0.0669
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0046 0.0056
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0033 0.0033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Toxoplasma gondii target of rapamycin (TOR), putative 0.002 0.0084 0.0726
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0357 0.1032
Brugia malayi hypothetical protein 0.0018 0.0038 0.0072
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Brugia malayi MH2 domain containing protein 0.0134 0.2345 0.4387
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0357 0.0357
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.002 0.0084 0.0291
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0155 0.2751 0.2751
Schistosoma mansoni kinase 0.0054 0.0752 0.2172
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.1789 0.3346
Loa Loa (eye worm) hypothetical protein 0.0018 0.0033 0.0061
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0072
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.1094 0.2047
Echinococcus granulosus neuropeptide receptor A26 0.052 1 1
Giardia lamblia GTOR 0.002 0.0084 0.0218
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0484 0.0484
Leishmania major phosphatidylinositol kinase related protein, putative 0.002 0.0085 0.0295
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0357 0.0669
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.002 0.0084 0.0084
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.002 0.0084 0.0291
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0793 0.1484
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1789 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0135 0.2356 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Leishmania major trypanothione reductase 0.0053 0.0736 0.4003
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0033 0.0062
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0357 0.1032
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0357 0.0669
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0357 0.0357
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0357 0.0357
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0033 0.0033
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0357 0.0357
Loa Loa (eye worm) glutathione reductase 0.0053 0.0736 0.1377
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0072
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0046 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0053 0.0736 0.0736
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0357 0.0669
Echinococcus multilocularis serine protein kinase ATM 0.0028 0.0235 0.0235
Echinococcus granulosus tar DNA binding protein 0.0071 0.1094 0.1094
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1094 0.3161
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.1789 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0793 0.1484
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Toxoplasma gondii thioredoxin reductase 0.0053 0.0736 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0441 0.0826
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.0046 0.5
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0046 0.0075
Giardia lamblia Kinase, PLK 0.0106 0.1789 1
Schistosoma mansoni hypothetical protein 0.0191 0.3462 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0357 0.0669
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0357 0.1032
Schistosoma mansoni hypothetical protein 0.0191 0.3462 1
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0484 0.1397
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.002 0.0084 0.0084
Brugia malayi isocitrate dehydrogenase 0.0018 0.0033 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0072
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0046 0.0046
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0357 0.1032
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.002 0.0084 0.0291
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0084 0.0291
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0155 0.2751 0.5147
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.1789 0.1789
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0357 0.1032
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.5345 0.5345
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0135 0.2356 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0033 0.0033
Loa Loa (eye worm) RNA binding protein 0.0071 0.1094 0.2047
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0046 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0357 0.0669
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.1789 0.5167
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0028 0.0235 0.1149
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0038 0.0072
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0137 0.2394 0.6915
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0046 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1094 0.3161
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0357 0.1998
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0793 0.1484
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0033 0.0033
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0033 0.0033
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0357 0.0669
Mycobacterium tuberculosis Probable reductase 0.0121 0.2088 0.8844
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.002 0.0084 0.0291
Onchocerca volvulus 0.0034 0.0357 0.1998
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0072
Brugia malayi steroid hormone receptor 0.0034 0.0357 0.0669
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.1094 0.2047
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Plasmodium falciparum thioredoxin reductase 0.0053 0.0736 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0046 0.0046
Schistosoma mansoni hypothetical protein 0.0018 0.0033 0.0095
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0033 0.0033
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0038 0.0111
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0028 0.0235 0.044
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.1789 0.3346
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0084 0.0158
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0357 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0033 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0357 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0357 0.1032
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0357 0.0669
Trypanosoma brucei polo-like protein kinase 0.0106 0.1789 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Entamoeba histolytica hypothetical protein 0.004 0.0484 0.2343
Echinococcus granulosus GPCR family 2 0.0018 0.0033 0.0033
Plasmodium vivax thioredoxin reductase, putative 0.0053 0.0736 1
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0038 0.0072
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.002 0.0084 0.0244
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0357 0.0357
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0033 0.0062
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0357 0.0669
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.002 0.0084 0.0291
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0038 0.0038
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0357 0.0357
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0357 0.0357
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1094 0.3161
Leishmania major phosphatidylinositol 3-kinase, putative 0.002 0.0084 0.0291
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0357 0.1032
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.0046 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0121 0.2088 0.8844
Brugia malayi TAR-binding protein 0.0071 0.1094 0.2047
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.002 0.0084 0.0084
Leishmania major phosphatidylinositol 3-related kinase, putative 0.002 0.0084 0.0291
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Schistosoma mansoni hypothetical protein 0.0018 0.0033 0.0095
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0038 0.0038
Trypanosoma brucei trypanothione reductase 0.0053 0.0736 0.4003
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0357 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus multilocularis tar DNA binding protein 0.0071 0.1094 0.1094
Echinococcus multilocularis geminin 0.0191 0.3462 0.3462
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0724 0.389
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1094 0.3161
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0286 0.5345 1
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.2345 0.4387
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0084 0.0158
Brugia malayi hypothetical protein 0.0018 0.0038 0.0072
Brugia malayi nuclear receptor NHR-88 0.0034 0.0357 0.0669
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0357 0.0669
Schistosoma mansoni tar DNA-binding protein 0.0071 0.1094 0.3161
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Brugia malayi ecdysteroid receptor 0.0034 0.0357 0.0669
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0357 0.0357
Trypanosoma brucei target of rapamycin kinase 3, putative 0.002 0.0084 0.0291
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0155 0.2751 0.2751
Schistosoma mansoni hypothetical protein 0.0038 0.0441 0.1275
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0357 0.0669
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.002 0.0084 0.0291
Plasmodium falciparum glutathione reductase 0.0018 0.0046 0.0186
Schistosoma mansoni hypothetical protein 0.004 0.0484 0.1397
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0028 0.0235 0.1149
Trichomonas vaginalis CAMK family protein kinase 0.0053 0.0724 0.389
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0357 0.0669
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0046 0.0186
Brugia malayi nuclear hormone receptor 0.0034 0.0357 0.0669
Treponema pallidum NADH oxidase 0.0018 0.0046 0.5
Toxoplasma gondii FATC domain-containing protein 0.0028 0.0235 0.2872
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0836 0.1564
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.1789 0.1789
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0357 0.0669
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0046 0.0186
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.002 0.0084 0.0244
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Brugia malayi hypothetical protein 0.004 0.0484 0.0905
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0038 0.0072
Plasmodium falciparum glutathione reductase 0.0053 0.0736 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0357 0.0357
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0357 0.0669
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0038 0.0111
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.002 0.0084 0.0291
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0053 0.0736 0.3025
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0046 0.0134
Schistosoma mansoni hypothetical protein 0.0058 0.0836 0.2415
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.1789 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0046 0.0075
Entamoeba histolytica hypothetical protein 0.004 0.0484 0.2343
Entamoeba histolytica hypothetical protein 0.004 0.0484 0.2343
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0046 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Brugia malayi hypothetical protein 0.0286 0.5345 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.1789 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Brugia malayi RNA binding protein 0.0071 0.1094 0.2047
Loa Loa (eye worm) hypothetical protein 0.0018 0.0038 0.0072
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0046 0.0075
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0033 0.0033
Schistosoma mansoni coup transcription factor 0.0034 0.0357 0.1032
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0357 0.0669
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0046 0.0186
Brugia malayi Thioredoxin reductase 0.0053 0.0736 0.1377
Loa Loa (eye worm) thioredoxin reductase 0.0053 0.0736 0.1377
Schistosoma mansoni survival motor neuron protein 0.0058 0.0836 0.2415
Schistosoma mansoni hypothetical protein 0.0018 0.0033 0.0095
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0736 0.4003
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.0046 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0357 0.0357
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0121 0.2088 0.8844
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0158 0.0707
Loa Loa (eye worm) phosphatidylinositol 3 0.002 0.0084 0.0158
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0357 0.1032
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0033 0.0061
Entamoeba histolytica hypothetical protein 0.004 0.0484 0.2343
Echinococcus granulosus serine protein kinase ATM 0.0028 0.0235 0.0235
Echinococcus multilocularis neuropeptide receptor A26 0.052 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0357 0.0357
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0028 0.0235 0.0679
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0793 0.1484
Loa Loa (eye worm) hypothetical protein 0.0024 0.0158 0.0295
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0357 0.0669
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.2345 0.4387
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus granulosus geminin 0.0191 0.3462 0.3462
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0121 0.2088 0.8844
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.002 0.0084 0.0291
Brugia malayi glutathione reductase 0.0053 0.0736 0.1377
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0357 0.1032
Brugia malayi nuclear receptor RXR 0.0018 0.0038 0.0072
Trypanosoma cruzi target of rapamycin kinase 3 0.002 0.0084 0.0291
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0155 0.2751 0.5147
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.002 0.0084 0.0158
Loa Loa (eye worm) TAR-binding protein 0.0071 0.1094 0.2047
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0357 0.0669
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Plasmodium vivax glutathione reductase, putative 0.0053 0.0736 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.5345 0.5345
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0484 0.0484
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0357 0.1998
Loa Loa (eye worm) hypothetical protein 0.0038 0.0441 0.0826
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0046 0.0087
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0046 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0357 0.0669
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0357 0.1032
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0357 0.0357
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.1789 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0357 0.1998
Loa Loa (eye worm) hypothetical protein 0.0034 0.0357 0.0669
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0135 0.2356 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.002 0.0084 0.0291
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0046 0.0075
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0046 0.0186
Plasmodium falciparum thioredoxin reductase 0.0018 0.0046 0.0186
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0357 0.0357
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0033 0.0061
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.002 0.0084 0.0291
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0357 0.1032
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0046 0.0186
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0033 0.0061
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0357 0.0357
Echinococcus multilocularis neuropeptide s receptor 0.052 1 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0033 0.0033
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.002 0.0085 0.0295
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0357 0.0669
Echinococcus multilocularis GPCR, family 2 0.0018 0.0033 0.0033
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0046 0.0186
Mycobacterium tuberculosis Probable oxidoreductase 0.0135 0.2356 1
Schistosoma mansoni hypothetical protein 0.0018 0.0033 0.0095
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.002 0.0084 0.0084
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0046 0.0075
Mycobacterium tuberculosis Probable dehydrogenase 0.0121 0.2088 0.8844
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0033 0.0096
Trichomonas vaginalis PIKK family atypical protein kinase 0.002 0.0084 0.0218
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0357 0.0357
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0235 0.1083
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.1789 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0046 0.0075
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0357 0.1032
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.0046 0.5
Entamoeba histolytica hypothetical protein 0.0028 0.0235 0.0884
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0357 0.0357
Echinococcus multilocularis thioredoxin glutathione reductase 0.0053 0.0736 0.0736
Onchocerca volvulus 0.0058 0.0836 0.4675
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0046 0.0075

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 40.163 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) = 0.2818 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1689 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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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