Detailed information for compound 1331412

Basic information

Technical information
  • TDR Targets ID: 1331412
  • Name: [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl pyrazol-3-yl] acetate
  • MW: 370.422 | Formula: C19H18N2O4S
  • H donors: 0 H acceptors: 4 LogP: 3.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1n(nc(c1S(=O)(=O)c1ccc(cc1)C)C)c1ccccc1
  • InChi: 1S/C19H18N2O4S/c1-13-9-11-17(12-10-13)26(23,24)18-14(2)20-21(19(18)25-15(3)22)16-7-5-4-6-8-16/h4-12H,1-3H3
  • InChiKey: KACUOFDRYDABPR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] acetate
  • acetic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester
  • acetic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] ester
  • [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-pyrazol-3-yl] ethanoate
  • EU-0058079
  • 3-methyl-4-[(4-methylphenyl)sulfonyl]-1-phenyl-1H-pyrazol-5-yl acetate
  • MLS000090768
  • SMR000025371

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus 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
Brugia malayi Pre-SET motif 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 histone-lysine n-methyltransferase setb1 0.0036 0.0138 0.0204
Brugia malayi nuclear receptor RXR 0.0024 0.0036 0.0036
Schistosoma mansoni hypothetical protein 0.0037 0.0146 0.0215
Loa Loa (eye worm) nuclear hormone receptor 0.0381 0.3127 0.3127
Loa Loa (eye worm) MH2 domain-containing protein 0.0982 0.8339 0.8339
Echinococcus multilocularis tar DNA binding protein 0.0312 0.2533 0.4858
Brugia malayi hypothetical protein 0.0037 0.0146 0.0146
Echinococcus granulosus tyrosine protein kinase ABL1 0.0621 0.5214 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.0272 0.0523
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.006 0.0343 0.5118
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0052 0.0272 0.0523
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0221 0.1739 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0062 0.0091
Brugia malayi Steroid receptor seven-up type 2 0.0408 0.3362 0.3362
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0052 0.0272 0.0272
Loa Loa (eye worm) nuclear receptor NHR-67 0.0024 0.0036 0.0036
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0312 0.2533 0.2533
Brugia malayi isocitrate dehydrogenase 0.0221 0.1739 0.1739
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0052 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0027 0.0058 0.0112
Brugia malayi Smad1 0.0067 0.0406 0.0406
Toxoplasma gondii isocitrate dehydrogenase 0.0221 0.1739 1
Schistosoma mansoni Smad4 0.003 0.0085 0.0125
Echinococcus granulosus TGF beta signal transducer SmadC 0.0067 0.0406 0.0778
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0371 0.3045 0.3045
Brugia malayi MH1 domain containing protein 0.0037 0.0147 0.0147
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0138 0.0265
Brugia malayi Pre-SET motif family protein 0.0251 0.2005 0.2005
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0027 0.0062 0.0091
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0615 0.3154
Echinococcus multilocularis nuclear receptor nhr 48 0.0024 0.0036 0.007
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Brugia malayi Probable isocitrate dehydrogenase 0.0027 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0052 0.0272 0.0272
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0027 0.0062 0.0118
Schistosoma mansoni hypothetical protein 0.0371 0.3045 0.4491
Schistosoma mansoni thyroid hormone receptor 0.0052 0.0272 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0052 0.0272 0.0272
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0052 0.0272 0.104
Loa Loa (eye worm) TAR-binding protein 0.0312 0.2533 0.2533
Brugia malayi nuclear receptor NHR-88 0.0052 0.0272 0.0272
Echinococcus multilocularis mothers against decapentaplegic 2 0.003 0.0085 0.0163
Brugia malayi conserved hypotetical protein 0.0024 0.0036 0.0036
Brugia malayi nuclear hormone receptor family member odr-7 0.0024 0.0036 0.0036
Schistosoma mansoni smad 0.0067 0.0406 0.0599
Echinococcus multilocularis smad 0.0067 0.0406 0.0778
Schistosoma mansoni tar DNA-binding protein 0.0312 0.2533 0.3736
Schistosoma mansoni Smad4 0.003 0.0085 0.0125
Echinococcus granulosus tar DNA binding protein 0.0312 0.2533 0.4858
Onchocerca volvulus Mothers against decapentaplegic homolog 0.003 0.0085 0.0214
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Brugia malayi MH2 domain containing protein 0.0067 0.0406 0.0406
Schistosoma mansoni zinc finger protein 0.0024 0.0036 0.0054
Schistosoma mansoni hypothetical protein 0.0079 0.0509 0.0751
Loa Loa (eye worm) MH2 domain-containing protein 0.003 0.0085 0.0085
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0221 0.1739 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0024 0.0036 0.0036
Echinococcus multilocularis mothers against decapentaplegic 5 0.0067 0.0406 0.0778
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0052 0.0272 0.0402
Schistosoma mansoni smad 0.003 0.0085 0.0125
Loa Loa (eye worm) isocitrate dehydrogenase 0.0221 0.1739 0.1739
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0146 0.0215
Echinococcus multilocularis FTZ F1 alpha 0.0052 0.0272 0.0523
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0052 0.0272 0.0523
Loa Loa (eye worm) hypothetical protein 0.0027 0.0062 0.0062
Echinococcus multilocularis GPCR, family 2 0.0371 0.3045 0.584
Brugia malayi MH2 domain containing protein 0.003 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0138 0.0204
Loa Loa (eye worm) hypothetical protein 0.0027 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0036 0.007
Echinococcus granulosus mothers against decapentaplegic 2 0.003 0.0085 0.0163
Entamoeba histolytica hypothetical protein 0.0037 0.0146 1
Schistosoma mansoni tyrosine kinase 0.0613 0.5136 0.7575
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Echinococcus granulosus Smad4 0.0067 0.0406 0.0778
Loa Loa (eye worm) latrophilin receptor protein 2 0.0371 0.3045 0.3045
Echinococcus multilocularis Smad4 0.0067 0.0406 0.0778
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0024 0.0036 0.0054
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0036 0.0036
Loa Loa (eye worm) DR-78 0.0024 0.0036 0.0036
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0221 0.1739 1
Brugia malayi TAR-binding protein 0.0312 0.2533 0.2533
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0146 0.0279
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0091 0.0615 0.118
Plasmodium vivax SET domain protein, putative 0.0036 0.0138 0.0247
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0221 0.1739 0.3335
Brugia malayi Calcitonin receptor-like protein seb-1 0.1174 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.0272 0.0523
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Entamoeba histolytica hypothetical protein 0.0037 0.0146 1
Schistosoma mansoni tar DNA-binding protein 0.0312 0.2533 0.3736
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.1739 0.3335
Plasmodium falciparum ataxin-2 like protein, putative 0.0176 0.1349 0.7624
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0024 0.0036 0.007
Loa Loa (eye worm) hypothetical protein 0.0384 0.3152 0.3152
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0027 0.0058 0.0058
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0138 0.0265
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0079 0.0509 0.0976
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0052 0.0272 0.0523
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0138
Schistosoma mansoni smad1 5 8 and 0.0067 0.0406 0.0599
Brugia malayi MH2 domain containing protein 0.0067 0.0406 0.0406
Schistosoma mansoni peptidase Clp (S14 family) 0.0091 0.0615 0.0908
Schistosoma mansoni nuclear receptor 0.0024 0.0036 0.0054
Brugia malayi Probable isocitrate dehydrogenase 0.0027 0.0058 0.0058
Schistosoma mansoni smad1 5 8 and 0.0067 0.0406 0.0599
Echinococcus granulosus nuclear receptor nhr 48 0.0024 0.0036 0.007
Toxoplasma gondii LsmAD domain-containing protein 0.0176 0.1349 0.7624
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.006 0.0343 0.1697
Brugia malayi Isocitrate dehydrogenase 0.0221 0.1739 0.1739
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0052 0.0272 0.0272
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2005 0.2005
Brugia malayi mothers against decapentaplegic homolog 3 0.003 0.0085 0.0085
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0027 0.0058 0.0058
Loa Loa (eye worm) MH1 domain-containing protein 0.003 0.0085 0.0085
Brugia malayi RNA binding protein 0.0312 0.2533 0.2533
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0221 0.1739 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0091 0.0615 0.3154
Brugia malayi hypothetical protein 0.0176 0.1349 0.1349
Loa Loa (eye worm) TK/ABL protein kinase 0.0621 0.5214 0.5214
Schistosoma mansoni tar DNA-binding protein 0.0312 0.2533 0.3736
Brugia malayi nuclear receptor NHR-67 0.0024 0.0036 0.0036
Brugia malayi nuclear receptor NHR-88 0.0024 0.0036 0.0036
Brugia malayi orphan nuclear receptor NR2E1 0.0024 0.0036 0.0036
Entamoeba histolytica hypothetical protein 0.0037 0.0146 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0052 0.0272 0.0523
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0052 0.0272 0.0523
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 0.3154
Loa Loa (eye worm) hypothetical protein 0.0802 0.6781 0.6781
Echinococcus granulosus ecdysone induced protein 78C 0.0052 0.0272 0.0523
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Schistosoma mansoni steroid hormone receptor ad4bp 0.0052 0.0272 0.0402
Echinococcus granulosus thyroid hormone receptor alpha 0.0024 0.0036 0.007
Brugia malayi hypothetical protein 0.0024 0.0036 0.0036
Echinococcus multilocularis ecdysone induced protein 78C 0.0052 0.0272 0.0523
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0036 0.007
Plasmodium falciparum ataxin-2 like protein, putative 0.0176 0.1349 0.7624
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0138 0.0265
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0067 0.0406 0.0599
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0027 0.0058 0.0112
Schistosoma mansoni tar DNA-binding protein 0.0312 0.2533 0.3736
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0371 0.3045 0.584
Echinococcus granulosus peptidase Clp S14 family 0.006 0.0343 0.0659
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.006 0.0343 0.1697
Brugia malayi MH1 domain containing protein 0.0067 0.0406 0.0406
Schistosoma mansoni hypothetical protein 0.0371 0.3045 0.4491
Brugia malayi nuclear hormone receptor 0.0024 0.0036 0.0036
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0221 0.1739 1
Brugia malayi ecdysone receptor 0.0024 0.0036 0.0036
Plasmodium vivax ataxin-2 like protein, putative 0.0176 0.1349 0.7624
Loa Loa (eye worm) hypothetical protein 0.0176 0.1349 0.1349
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Echinococcus multilocularis peptidase Clp (S14 family) 0.006 0.0343 0.0659
Schistosoma mansoni RAR-like nuclear receptor 0.0052 0.0272 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0052 0.0272 0.0272
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0036 0.007
Brugia malayi nuclear hormone receptor 0.0052 0.0272 0.0272
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0052 0.0272 0.0523
Schistosoma mansoni nuclear hormone receptor 0.0052 0.0272 0.0402
Onchocerca volvulus 0.0052 0.0272 0.104
Loa Loa (eye worm) hypothetical protein 0.1174 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0052 0.0272 0.0523
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.1739 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0052 0.0272 0.0272
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0371 0.3045 0.584
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0621 0.5214 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0052 0.0272 0.0402
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0272 0.0272
Echinococcus multilocularis isocitrate dehydrogenase 0.0221 0.1739 0.3335
Onchocerca volvulus Bile acid receptor homolog 0.0052 0.0272 0.104
Brugia malayi Latrophilin receptor protein 2 0.0371 0.3045 0.3045
Echinococcus multilocularis mothers against decapentaplegic 6 0.003 0.0085 0.0163
Brugia malayi Tyrosine-protein kinase abl-1 0.0253 0.2022 0.2022
Brugia malayi MH1 domain containing protein 0.0037 0.0147 0.0147
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.1739 0.3335
Loa Loa (eye worm) transcription factor SMAD2 0.0982 0.8339 0.8339
Echinococcus granulosus mothers against decapentaplegic 6 0.003 0.0085 0.0163
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0052 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0052 0.0272 0.0272
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0052 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0408 0.3362 0.6449
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0024 0.0036 0.0036
Schistosoma mansoni nuclear receptor 0.0024 0.0036 0.0054
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0091 0.0615 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0067 0.0406 0.0406
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0052 0.0272 0.0402
Onchocerca volvulus Protein ultraspiracle homolog 0.0052 0.0272 0.104
Schistosoma mansoni isocitrate dehydrogenase 0.0027 0.0058 0.0086
Loa Loa (eye worm) hypothetical protein 0.0371 0.3045 0.3045
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0052 0.0272 0.0272
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0036 0.0054
Echinococcus granulosus GPCR family 2 0.0371 0.3045 0.584
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.0272 0.0523
Loa Loa (eye worm) MH2 domain-containing protein 0.0067 0.0406 0.0406
Echinococcus granulosus smad 0.0067 0.0406 0.0778
Schistosoma mansoni nuclear receptor nhr-48 0.0024 0.0036 0.0054
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0027 0.0058 0.0112
Brugia malayi Pre-SET motif family protein 0.0036 0.0138 0.0138
Echinococcus granulosus Nuclear hormone receptor HR96 0.0024 0.0036 0.007
Brugia malayi nuclear receptor RXR 0.0027 0.0062 0.0062
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0052 0.0272 0.0523
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0052 0.0272 0.0272
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0024 0.0036 0.007
Brugia malayi hypothetical protein 0.0024 0.0036 0.0036
Echinococcus granulosus mothers against decapentaplegic 5 0.0067 0.0406 0.0778
Brugia malayi steroid hormone receptor 0.0052 0.0272 0.0272
Brugia malayi hypothetical protein 0.0027 0.0062 0.0062
Brugia malayi Tyrosine-protein kinase abl-1 0.0377 0.3093 0.3093
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0027 0.0062 0.0118
Loa Loa (eye worm) nuclear factor I 0.0037 0.0147 0.0147
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1174 1 1
Loa Loa (eye worm) Smad1 0.0067 0.0406 0.0406
Brugia malayi hypothetical protein 0.0027 0.0062 0.0062
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0062 0.0062
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0371 0.3045 0.584
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0052 0.0272 0.0272
Brugia malayi ecdysteroid receptor 0.0052 0.0272 0.0272
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0031 0.0098 0.0712
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0036 0.007
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Brugia malayi photoreceptor-specific nuclear receptor 0.0319 0.2588 0.2588
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0052 0.0272 0.0402
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0067 0.0406 0.0778
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0052 0.0272 0.0272
Brugia malayi nuclear hormone receptor family member nhr-6 0.0024 0.0036 0.0036
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0027 0.0058 0.0058
Schistosoma mansoni smad1 5 8 and 0.0067 0.0406 0.0599
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0221 0.1739 0.3335
Schistosoma mansoni nuclear hormone receptor 0.0024 0.0036 0.0054
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.1739 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0052 0.0272 0.0272
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0371 0.3045 0.584
Brugia malayi Nuclear hormone receptor E75 0.0024 0.0036 0.0036
Schistosoma mansoni retinoic acid receptor RXR 0.0052 0.0272 0.0402
Entamoeba histolytica hypothetical protein 0.0037 0.0146 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0027 0.0062 0.0062
Brugia malayi MH1 domain containing protein 0.0067 0.0406 0.0406
Schistosoma mansoni tar DNA-binding protein 0.0312 0.2533 0.3736
Echinococcus multilocularis tyrosine protein kinase Abl 0.0253 0.2022 0.3879
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0138 0.0204
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.0272 0.0523
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0027 0.0058 0.0058
Brugia malayi hypothetical protein 0.0113 0.0809 0.0809
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0221 0.1739 0.3335
Schistosoma mansoni hypothetical protein 0.0802 0.6781 1
Echinococcus granulosus FTZ F1 alpha 0.0052 0.0272 0.0523
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0138 0.0204
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0221 0.1739 0.2564
Schistosoma mansoni hypothetical protein 0.0371 0.3045 0.4491
Brugia malayi latrophilin 2 splice variant baaae 0.0802 0.6781 0.6781
Loa Loa (eye worm) hypothetical protein 0.0236 0.187 0.187
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0024 0.0036 0.007
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0052 0.0272 0.0272
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0024 0.0036 0.0054
Onchocerca volvulus 0.0286 0.2306 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0052 0.0272 0.0272
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0146 0.0279
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0408 0.3362 0.6449
Schistosoma mansoni coup transcription factor 0.0052 0.0272 0.0402
Loa Loa (eye worm) hypothetical protein 0.0027 0.0062 0.0062
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0052 0.0272 0.0272
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0024 0.0036 0.007
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0052 0.0272 0.0402
Onchocerca volvulus 0.0036 0.0138 0.0449
Leishmania major hypothetical protein, conserved 0.0176 0.1349 0.768
Loa Loa (eye worm) hypothetical protein 0.0052 0.0272 0.0272
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0052 0.0272 0.0402
Schistosoma mansoni thyroid hormone receptor 0.0052 0.0272 0.0402
Toxoplasma gondii isocitrate dehydrogenase 0.0221 0.1739 1
Schistosoma mansoni unc-13 (munc13) 0.0027 0.0058 0.0086
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0052 0.0272 0.0272
Loa Loa (eye worm) hypothetical protein 0.0319 0.2588 0.2588
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0127 0.0243
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0091 0.0615 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Loa Loa (eye worm) steroid hormone receptor 0.0052 0.0272 0.0272
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0027 0.0058 0.0112
Loa Loa (eye worm) RNA binding protein 0.0312 0.2533 0.2533
Loa Loa (eye worm) hypothetical protein 0.0037 0.0147 0.0147
Loa Loa (eye worm) hypothetical protein 0.0027 0.0062 0.0062
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0079 0.0509 0.0976
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0091 0.0615 0.118
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0052 0.0272 0.0272
Brugia malayi RNA recognition motif domain containing protein 0.0312 0.2533 0.2533
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0221 0.1739 1
Brugia malayi Probable ClpP-like protease 0.0091 0.0615 0.0615
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0027 0.0062 0.0062
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0091 0.0615 0.3154
Loa Loa (eye worm) hypothetical protein 0.003 0.0085 0.0085
Loa Loa (eye worm) hypothetical protein 0.0091 0.0615 0.0615
Brugia malayi tailless protein 0.0024 0.0036 0.0036
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0138 0.0247
Brugia malayi MH2 domain containing protein 0.0982 0.8339 0.8339
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2306 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0036 0.0036
Schistosoma mansoni Smad4 0.0067 0.0406 0.0599
Schistosoma mansoni hypothetical protein 0.0371 0.3045 0.4491
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0027 0.0058 0.0086

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.2213 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) 11.2202 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) = 31.6228 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) = 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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.