Detailed information for compound 1252418

Basic information

Technical information
  • TDR Targets ID: 1252418
  • Name: N-[3-(1-phenylsulfonyl-5-thiophen-2-yl-4,5-di hydropyrazol-3-yl)phenyl]methanesulfonamide
  • MW: 461.578 | Formula: C20H19N3O4S3
  • H donors: 1 H acceptors: 4 LogP: 2.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS(=O)(=O)Nc1cccc(c1)C1=NN(C(C1)c1cccs1)S(=O)(=O)c1ccccc1
  • InChi: 1S/C20H19N3O4S3/c1-29(24,25)22-16-8-5-7-15(13-16)18-14-19(20-11-6-12-28-20)23(21-18)30(26,27)17-9-3-2-4-10-17/h2-13,19,22H,14H2,1H3
  • InChiKey: YHSVZPYZYQJCEP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[1-phenylsulfonyl-5-(2-thienyl)-4,5-dihydropyrazol-3-yl]phenyl]methanesulfonamide
  • EU-0025984
  • MLS000582756
  • N-{3-[1-(phenylsulfonyl)-5-(2-thienyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl}methanesulfonamide
  • SMR000201460

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau 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
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
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
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0511 0.0602
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1348 0.1586
Loa Loa (eye worm) hypothetical protein 0.0051 0.046 0.1813
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0476 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0476 0.1875
Loa Loa (eye worm) hypothetical protein 0.0137 0.1347 0.5302
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0511 0.0602
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0468 0.0551
Echinococcus multilocularis mitogen activated protein kinase 0.0052 0.0476 0.0476
Schistosoma mansoni hypothetical protein 0.0513 0.5213 0.6132
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.5677 0.5677
Brugia malayi latrophilin 2 splice variant baaae 0.0137 0.1347 0.5302
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.7122
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0046 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0046 0.0179
Brugia malayi Calcitonin receptor-like protein seb-1 0.02 0.1998 0.7866
Trypanosoma brucei protein kinase, putative 0.0052 0.0476 1
Schistosoma mansoni hypothetical protein 0.0513 0.5213 0.6132
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0137 0.1348 0.1586
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0046 0.0054
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0046 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0046 0.0179
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0046 0.0054
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.0442 0.9598
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.7122
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0476 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0468 0.9764
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0139 0.3283
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0046 0.0179
Onchocerca volvulus 0.0049 0.0442 0.9598
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0046 0.0046
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0476 1
Brugia malayi nuclear receptor NHR-88 0.001 0.0046 0.0179
Schistosoma mansoni hypothetical protein 0.0063 0.0591 0.0695
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0476 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0046 0.0046
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1348 0.1348
Schistosoma mansoni hypothetical protein 0.0035 0.0302 0.0355
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.1738 0.684
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0468 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0476 0.0476
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0468 0.9833
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0046 0.0179
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0063 0.0591 0.0695
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Schistosoma mansoni nuclear hormone receptor 0.001 0.0046 0.0054
Brugia malayi Latrophilin receptor protein 2 0.0063 0.0591 0.2326
Echinococcus multilocularis GPCR, family 2 0.0063 0.0591 0.0591
Schistosoma mansoni tar DNA-binding protein 0.0253 0.254 0.2988
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.5677 0.6678
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0046 0.0179
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8501 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0063 0.0591 0.2326
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0046 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0046 0.0179
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0476 0.056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0137 0.1348 0.1348
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0046 0.0046
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0046 0.0054
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0046 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0046 0.0179
Schistosoma mansoni hypothetical protein 0.0137 0.1347 0.1584
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0046 0.0179
Loa Loa (eye worm) MBCTL1 0.0056 0.0511 0.2013
Schistosoma mansoni ap endonuclease 0.0019 0.0139 0.0164
Schistosoma mansoni thyroid hormone receptor 0.001 0.0046 0.0054
Onchocerca volvulus 0.0051 0.046 1
Schistosoma mansoni tar DNA-binding protein 0.0253 0.254 0.2988
Schistosoma mansoni tar DNA-binding protein 0.0253 0.254 0.2988
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0046 0.0179
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0046 0.0179
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0476 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0476 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0046 0.0046
Schistosoma mansoni tar DNA-binding protein 0.0253 0.254 0.2988
Loa Loa (eye worm) RNA binding protein 0.0253 0.254 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0046 0.0179
Schistosoma mansoni hypothetical protein 0.0063 0.0591 0.0695
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0046 0.0179
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0046 0.0054
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0424 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1348 0.1586
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.0442 0.052
Brugia malayi RNA binding protein 0.0253 0.254 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0302 0.0355
Brugia malayi MAP kinase sur-1 0.0052 0.0476 0.1875
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0046 0.099
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0046 0.0054
Echinococcus multilocularis tumor protein p63 0.0346 0.3499 0.3499
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0139 0.0548
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0511 0.0511
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0046 0.0179
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.1687 0.1985
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0063 0.0591 0.0591
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0476 1
Echinococcus multilocularis geminin 0.0513 0.5213 0.5213
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0046 0.0054
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0511 0.0511
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0476 1
Schistosoma mansoni coup transcription factor 0.001 0.0046 0.0054
Echinococcus granulosus tar DNA binding protein 0.0253 0.254 0.2988
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.046 0.0542
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.0442 0.052
Loa Loa (eye worm) acetyltransferase 0.0175 0.1738 0.684
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0046 0.0179
Loa Loa (eye worm) hypothetical protein 0.0049 0.0442 0.174
Brugia malayi nuclear hormone receptor 0.001 0.0046 0.0179
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.0442 0.174
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0046 0.0046
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0046 0.0179
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0139 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0139 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0139 0.0164
Echinococcus granulosus GPCR family 2 0.0063 0.0591 0.0695
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0511 0.0602
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0046 0.0054
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0063 0.0591 0.0695
Schistosoma mansoni ap endonuclease 0.0019 0.0139 0.0164
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.02 0.1998 0.7866
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0046 0.099
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0046 0.0179
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1348 0.1586
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.7122
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Echinococcus multilocularis tar DNA binding protein 0.0253 0.254 0.254
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0139 0.2924
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0424 0.8457
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0442 0.052
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0137 0.1348 0.5308
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0046 0.0054
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.0442 0.052
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0139 0.2924
Brugia malayi hypothetical protein 0.0035 0.0302 0.1189
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0046 0.0054
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0424 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8501 0.8501
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.1738 0.1738
Brugia malayi TAR-binding protein 0.0253 0.254 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0253 0.254 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0046 0.0179
Onchocerca volvulus 0.001 0.0046 0.099
Loa Loa (eye worm) TAR-binding protein 0.0253 0.254 1
Loa Loa (eye worm) hypothetical protein 0.02 0.1998 0.7866
Echinococcus granulosus geminin 0.0513 0.5213 0.6132
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0046 0.0046
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.0442 0.0442
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0476 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0046 0.0054
Schistosoma mansoni hypothetical protein 0.0301 0.3034 0.3569
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0046 0.0046
Schistosoma mansoni hypothetical protein 0.0063 0.0591 0.0695
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0046 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0063 0.0591 0.2326
Giardia lamblia Kinase, CMGC MAPK 0.0052 0.0476 1
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0476 0.056
Echinococcus granulosus neuropeptide s receptor 0.0558 0.5677 0.6678
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0139 0.5
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0468 0.9833
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.0442 0.052
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0476 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0046 0.0179
Echinococcus granulosus FTZ F1 alpha 0.001 0.0046 0.0054
Brugia malayi steroid hormone receptor 0.001 0.0046 0.0179
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0046 0.0179
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0046 0.0054
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0197 0.196 0.2305
Brugia malayi mbt repeat family protein 0.0049 0.0442 0.174
Schistosoma mansoni thyroid hormone receptor 0.001 0.0046 0.0054
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.5677 0.5677
Schistosoma mansoni tar DNA-binding protein 0.0253 0.254 0.2988
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.1738 0.2044
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0137 0.1348 0.5308
Echinococcus granulosus tumor protein p63 0.0346 0.3499 0.4116
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0302 0.0355
Brugia malayi ecdysteroid receptor 0.001 0.0046 0.0179
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0197 0.196 0.196
Trichomonas vaginalis CMGC family protein kinase 0.0052 0.0476 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0591 0.2326
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0476 1
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0476 0.056
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0302 0.0302
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0063 0.0591 0.0591
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0139 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0139 0.0139
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0046 0.0179
Entamoeba histolytica hypothetical protein 0.0035 0.0302 0.7122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.02 0.1998 0.7866
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0137 0.1348 0.1586
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0046 0.0054
Brugia malayi RNA recognition motif domain containing protein 0.0253 0.254 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0046 0.0046
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0046 0.0179
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0046 0.0054
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0046 0.0179
Brugia malayi mbt repeat family protein 0.0049 0.0442 0.174
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0468 0.9764
Schistosoma mansoni hypothetical protein 0.0063 0.0591 0.0695
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0511 0.2013
Loa Loa (eye worm) hypothetical protein 0.001 0.0046 0.0179
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0139 0.0548
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8501 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0046 0.0054
Loa Loa (eye worm) hypothetical protein 0.0056 0.0511 0.2013
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0046 0.099
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0046 0.0179

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 10.4179 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) 11.6891 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.581 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) = 19.9526 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 20.5962 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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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