Detailed information for compound 1372405

Basic information

Technical information
  • TDR Targets ID: 1372405
  • Name: 4-methoxy-N-(4-methylpiperidine-1-carbothioyl )benzamide
  • MW: 292.397 | Formula: C15H20N2O2S
  • H donors: 1 H acceptors: 1 LogP: 2.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)NC(=S)N1CCC(CC1)C
  • InChi: 1S/C15H20N2O2S/c1-11-7-9-17(10-8-11)15(20)16-14(18)12-3-5-13(19-2)6-4-12/h3-6,11H,7-10H2,1-2H3,(H,16,18,20)
  • InChiKey: QOTCMCFYPGXNGB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-methoxy-N-[(4-methyl-1-piperidinyl)-thioxomethyl]benzamide
  • 4-methoxy-N-(4-methylpiperidin-1-yl)carbothioyl-benzamide
  • PB247689162
  • 4-methoxy-N-[(4-methyl-1-piperidinyl)carbonothioyl]benzamide
  • Oprea1_313437
  • MLS000535063
  • SMR000142500
  • ZINC00473077

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0429 0.1637
Brugia malayi Latrophilin receptor protein 2 0.0084 0.0503 0.0479
Echinococcus granulosus pyruvate kinase 0.0017 0.002 0.0081
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0095 0.1717
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0194 0.1301 0.1301
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.015 0.0595
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.004 0.0057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0037 0.0262
Mycobacterium tuberculosis Probable reductase 0.0116 0.0738 0.8837
Schistosoma mansoni hypothetical protein 0.0084 0.0503 0.1934
Echinococcus multilocularis pyruvate kinase 0.0026 0.0086 0.0123
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0095 0.1819
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0037 0.0126
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.004 0.0159
Loa Loa (eye worm) hypothetical protein 0.0264 0.1809 0.1809
Schistosoma mansoni hypothetical protein 0.0362 0.2517 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0267 0.0382
Brugia malayi nuclear receptor NHR-88 0.002 0.004 0.0015
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0026 0.0141
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.004 0.0159
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.004 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.1301 0.513
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0073 0.0426 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0136 0.0111
Echinococcus granulosus GPCR family 2 0.0084 0.0503 0.1999
Leishmania major hypothetical protein, conserved 0.0027 0.0095 0.1703
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1968 0.859
Loa Loa (eye worm) hypothetical protein 0.0558 0.3936 0.3936
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0084 0.0503 0.1999
Schistosoma mansoni hypothetical protein 0.0084 0.0503 0.1934
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0116 0.0738 0.8837
Loa Loa (eye worm) hypothetical protein 0.0023 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0037 0.0037
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0084 0.0503 0.0721
Giardia lamblia PHD finger protein 15 0.003 0.0119 0.856
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.004 0.0057
Loa Loa (eye worm) inositol-1 0.0045 0.0221 0.0221
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0136 0.0498
Entamoeba histolytica hypothetical protein 0.0073 0.0426 1
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0073 0.0426 0.061
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0136 0.0498
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.004 0.0015
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0136 0.2826
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0119 0.2419
Treponema pallidum NADH oxidase 0.0018 0.0026 0.5
Echinococcus granulosus geminin 0.0362 0.2517 1
Brugia malayi isocitrate dehydrogenase 0.0019 0.0037 0.0011
Brugia malayi nuclear hormone receptor 0.002 0.004 0.0015
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.004 0.0159
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0136 0.1363
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0221 0.2332
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0071 0.0413 0.0592
Brugia malayi latrophilin 2 splice variant baaae 0.0181 0.1205 0.1183
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.004 0.0015
Echinococcus multilocularis pyruvate kinase 0.0033 0.0136 0.0195
Echinococcus granulosus peregrin 0.003 0.0119 0.0474
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.004 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.004 0.004
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0267 0.6071
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Brugia malayi Calcitonin receptor-like protein seb-1 0.0264 0.1809 0.1789
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0221 0.0863
Schistosoma mansoni spingomyelin synthetase-related 0.0073 0.0426 0.1624
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0073 0.0426 0.1768
Brugia malayi steroid hormone receptor 0.002 0.004 0.0015
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0136 0.0136
Entamoeba histolytica hypothetical protein 0.0073 0.0426 1
Echinococcus multilocularis GPCR, family 2 0.0084 0.0503 0.0721
Plasmodium vivax hypothetical protein, conserved 0.003 0.0119 0.2439
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0095 0.1834
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0159 0.0228
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0221 0.4916
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0267 0.6015
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0206 0.0817
Plasmodium vivax sphingomyelin synthase 2, putative 0.0073 0.0426 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0119 0.2439
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0194 0.1301 0.5169
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0095 0.1834
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1783
Loa Loa (eye worm) hypothetical protein 0.0162 0.1074 0.1074
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.004 0.0078
Loa Loa (eye worm) hypothetical protein 0.0052 0.0277 0.0277
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.1301 0.513
Loa Loa (eye worm) steroid hormone receptor 0.002 0.004 0.004
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0026 0.0141
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0136 0.0486
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0221 1
Giardia lamblia Pyruvate kinase 0.0033 0.0136 1
Trypanosoma brucei inositol phosphorylceramide synthase 0.0073 0.0426 0.4774
Schistosoma mansoni hypothetical protein 0.0084 0.0503 0.1934
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0026 0.0141
Entamoeba histolytica hypothetical protein 0.0073 0.0426 1
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0073 0.0426 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0429 1
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0119 0.0474
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0073 0.0426 0.1768
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0136 0.1311
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0129 0.0832 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0426 0.0426
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.004 0.0057
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0429 0.1705
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.004 0.004
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0073 0.0426 0.4774
Echinococcus multilocularis pyruvate kinase 0.0017 0.002 0.0029
Schistosoma mansoni hypothetical protein 0.0362 0.2517 1
Loa Loa (eye worm) glutathione reductase 0.0051 0.0267 0.0267
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0221 0.4884
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0084 0.0503 0.0479
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0073 0.0426 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.004 0.0057
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0188 0.0742
Brugia malayi glutaminase DH11.1 0.033 0.2287 0.2268
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0073 0.0426 0.1768
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.004 0.0015
Schistosoma mansoni coup transcription factor 0.002 0.004 0.0078
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Brugia malayi Inositol-1 0.0045 0.0221 0.0197
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0037 0.0053
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.004 0.0078
Schistosoma mansoni nuclear hormone receptor 0.002 0.004 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.004 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0166 0.0582
Schistosoma mansoni thyroid hormone receptor 0.002 0.004 0.0078
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0221 0.4844
Loa Loa (eye worm) hypothetical protein 0.0033 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0037 0.0264
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0026 0.0141
Plasmodium falciparum glutathione reductase 0.0018 0.0026 0.0141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0194 0.1301 0.513
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0026 0.0001
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0206 0.0295
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0267 0.0267
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.004 0.004
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0073 0.0426 0.4774
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.004 0.004
Echinococcus multilocularis pyruvate kinase 0.0017 0.002 0.0029
Plasmodium vivax sphingomyelin synthase 1, putative 0.0073 0.0426 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0194 0.1301 0.1863
Brugia malayi hypothetical protein 0.0027 0.0095 0.007
Brugia malayi Pre-SET motif family protein 0.0251 0.1717 0.1696
Brugia malayi Thioredoxin reductase 0.0051 0.0267 0.0242
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.004 0.0015
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.004 0.0078
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0026 0.0023
Plasmodium falciparum glutathione reductase 0.0051 0.0267 0.6071
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.0026 0.0494
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0037 0.0398
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0354 0.0354
Schistosoma mansoni inositol monophosphatase 0.0045 0.0221 0.0805
Schistosoma mansoni hypothetical protein 0.0181 0.1205 0.4744
Schistosoma mansoni hypothetical protein 0.003 0.0119 0.0396
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0037 0.0053
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0037 0.0053
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0116 0.0738 0.8837
Entamoeba histolytica hypothetical protein 0.0073 0.0426 1
Brugia malayi jmjC domain containing protein 0.01 0.0621 0.0598
Leishmania major trypanothione reductase 0.0051 0.0267 0.5965
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0037 0.0401
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.004 0.0015
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0473 0.1812
Schistosoma mansoni inositol monophosphatase 0.0045 0.0221 0.0805
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0073 0.0426 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.004 0.0015
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0136 0.0136
Loa Loa (eye worm) hypothetical protein 0.0073 0.0426 0.0426
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0037 0.0053
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0026 0.0104
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.004 0.0015
Echinococcus granulosus pyruvate kinase 0.0017 0.002 0.0081
Trichomonas vaginalis hypothetical protein 0.0073 0.0426 0.1768
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0621 0.2469
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Loa Loa (eye worm) hypothetical protein 0.0073 0.0426 0.0426
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0026 0.0139
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0621 0.089
Brugia malayi Pre-SET motif family protein 0.0036 0.0159 0.0135
Onchocerca volvulus Alhambra homolog 0.003 0.0119 0.0411
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0037 0.0011
Brugia malayi PHD-finger family protein 0.003 0.0119 0.0094
Brugia malayi hypothetical protein 0.0162 0.1074 0.1052
Loa Loa (eye worm) hypothetical protein 0.0073 0.0426 0.0426
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0159 0.3401
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0129 0.0832 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0159 0.0634
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0095 0.082
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.004 0.0015
Loa Loa (eye worm) glutaminase 2 0.033 0.2287 0.2287
Leishmania major pyruvate kinase 0.0033 0.0136 0.2724
Plasmodium falciparum thioredoxin reductase 0.0051 0.0267 0.6071
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0267 0.2985
Schistosoma mansoni glutaminase 0.033 0.2287 0.9079
Schistosoma mansoni pyruvate kinase 0.0033 0.0136 0.0463
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.004 0.0078
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6984 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0084 0.0503 0.0721
Echinococcus granulosus FTZ F1 alpha 0.002 0.004 0.0159
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.004 0.0159
Loa Loa (eye worm) latrophilin receptor protein 2 0.0084 0.0503 0.0503
Chlamydia trachomatis pyruvate kinase 0.0033 0.0136 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.004 0.0078
Echinococcus granulosus nuclear factor of activated T cells 5 0.0071 0.0413 0.1642
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0116 0.0738 0.8837
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0194 0.1301 0.1279
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0037 0.0146
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.004 0.004
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0119 0.0396
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0037 0.0053
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.004 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.004 0.0015
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.004 0.0078
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.004 0.004
Entamoeba histolytica hypothetical protein 0.0073 0.0426 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0429 0.0615
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0037 0.0264
Echinococcus granulosus pyruvate kinase 0.0017 0.002 0.0081
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0166 0.0237
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.004 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.004 0.0015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0264 0.1809 0.1789
Plasmodium falciparum thioredoxin reductase 0.0018 0.0026 0.0141
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0267 0.1059
Plasmodium vivax SET domain protein, putative 0.0036 0.0159 0.343
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0116 0.0738 0.8654
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0073 0.0426 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.004 0.0015
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.0426 0.1768
Echinococcus multilocularis pyruvate kinase 0.0033 0.0136 0.0195
Echinococcus multilocularis pyruvate kinase 0.0017 0.002 0.0029
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1783
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.004 0.0159
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0221 0.088
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0221 0.0317
Toxoplasma gondii thioredoxin reductase 0.0051 0.0267 0.6021
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0064 0.0064
Plasmodium vivax glutathione reductase, putative 0.0051 0.0267 0.6071
Brugia malayi Steroid receptor seven-up type 2 0.002 0.004 0.0015
Loa Loa (eye worm) hypothetical protein 0.1396 1 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0136 0.054
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0073 0.0426 0.0402
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0073 0.0426 0.0402
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0429 0.1637
Brugia malayi Sphingomyelin synthase-related 1 0.0073 0.0426 0.0402
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0221 0.4347
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.004 0.0057
Trypanosoma brucei RNA helicase, putative 0.0133 0.0863 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0166 0.0582
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0095 0.1717
Toxoplasma gondii hypothetical protein 0.0073 0.0426 0.9918
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0095 0.1834
Mycobacterium ulcerans glutaminase 0.033 0.2287 1
Brugia malayi Bromodomain containing protein 0.003 0.0119 0.0094
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0037 0.0065
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0026 0.0139
Loa Loa (eye worm) hypothetical protein 0.0073 0.0426 0.0426
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0159 0.0557
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0116 0.0738 0.8837
Loa Loa (eye worm) hypothetical protein 0.0181 0.1205 0.1205
Trichomonas vaginalis glutaminase, putative 0.033 0.2287 1
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0037 0.0398
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1783
Plasmodium falciparum pyruvate kinase 0.0033 0.0136 0.2849
Leishmania major pyruvate kinase 0.0033 0.0136 0.2724
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0136 0.0136
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.004 0.0159
Brugia malayi small heat shock protein 0.0558 0.3936 0.3921
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0037 0.0131
Loa Loa (eye worm) hypothetical protein 0.0084 0.0503 0.0503
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0073 0.0426 0.1768
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0136 0.1311
Echinococcus multilocularis peregrin 0.003 0.0119 0.0171
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0166 0.0166
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0136 0.2849
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0264 0.1809 0.1809
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1717 0.1717
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0136 0.0486
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0159 0.0557
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.004 0.0015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.004 0.004
Schistosoma mansoni pyruvate kinase 0.0033 0.0136 0.0463
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.004 0.0057
Brugia malayi glutathione reductase 0.0051 0.0267 0.0242
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0221 0.0863
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.004 0.0159
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0166 0.0658
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0073 0.0426 0.9917
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0188 0.2004
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0129 0.0832 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0429 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0194 0.1301 0.5169
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0037 0.0126
Loa Loa (eye worm) glutaminase 0.033 0.2287 0.2287
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0136 0.2747
Loa Loa (eye worm) hypothetical protein 0.0027 0.0095 0.0095
Echinococcus granulosus pyruvate kinase 0.0033 0.0136 0.054
Brugia malayi jmjC domain containing protein 0.0037 0.0166 0.0141
Loa Loa (eye worm) hypothetical protein 0.002 0.004 0.004
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0037 0.0401
Echinococcus granulosus sphingomyelin synthase protein 1 0.0073 0.0426 0.1692
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0136 0.0486
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0221 0.0863
Echinococcus multilocularis geminin 0.0362 0.2517 0.3604
Loa Loa (eye worm) hypothetical protein 0.0036 0.0159 0.0159
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0159 0.0228
Schistosoma mansoni hypothetical protein 0.0084 0.0503 0.1934
Mycobacterium tuberculosis Probable oxidoreductase 0.0129 0.0832 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0159 0.0557
Onchocerca volvulus 0.0286 0.1969 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0221 0.0863
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.004 0.0015
Brugia malayi ecdysteroid receptor 0.002 0.004 0.0015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0159 0.0557
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0073 0.0426 0.4774
Schistosoma mansoni hypothetical protein 0.0133 0.0863 0.3376
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0084 0.0503 0.1999
Entamoeba histolytica hypothetical membrane-spanning protein 0.0073 0.0426 1
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0073 0.0426 1
Echinococcus multilocularis FTZ F1 alpha 0.002 0.004 0.0057
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0119 0.0119
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0136 0.0498
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0221 0.4884
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.004 0.0159
Schistosoma mansoni thyroid hormone receptor 0.002 0.004 0.0078
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0119 0.0171
Mycobacterium tuberculosis Probable dehydrogenase 0.0116 0.0738 0.8837
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0119 0.2419
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.004 0.0015
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0429 0.5004
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0073 0.0426 0.0402
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0136 0.0111
Loa Loa (eye worm) hypothetical protein 0.003 0.0119 0.0119
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.004 0.0078
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0136 0.2747
Onchocerca volvulus 0.0162 0.1074 0.5362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0194 0.1301 0.1863
Onchocerca volvulus 0.0036 0.0159 0.062
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0026 0.0037
Trypanosoma brucei trypanothione reductase 0.0051 0.0267 0.2872

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.6169 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) = 3.9811 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 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) 16.3601 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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 (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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