Detailed information for compound 1460340

Basic information

Technical information
  • TDR Targets ID: 1460340
  • Name: 2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]-2-phen ylsulfonylacetonitrile
  • MW: 369.394 | Formula: C18H15N3O4S
  • H donors: 1 H acceptors: 6 LogP: 1.58 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCOc1nc2ccccc2nc1C(S(=O)(=O)c1ccccc1)C#N
  • InChi: 1S/C18H15N3O4S/c19-12-16(26(23,24)13-6-2-1-3-7-13)17-18(25-11-10-22)21-15-9-5-4-8-14(15)20-17/h1-9,16,22H,10-11H2
  • InChiKey: GVDLLUONXYQSES-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]-2-phenylsulfonyl-acetonitrile
  • 2-[3-(2-hydroxyethoxy)-2-quinoxalinyl]-2-phenylsulfonylacetonitrile
  • 2-[3-(2-hydroxyethoxy)quinoxalin-2-yl]-2-phenylsulfonyl-ethanenitrile
  • MLS001011128
  • SMR000353167
  • Oprea1_032932

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0004 0 0.5
Giardia lamblia Alcohol dehydrogenase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0187 0.0191
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0937 1
Schistosoma mansoni cpg binding protein 0.0034 0.0403 0.066
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 1
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0402 0.0659
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.0161 0.0263
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0402 0.0659
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0765 0.8171
Schistosoma mansoni hypothetical protein 0.0456 0.6108 1
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0004 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0402 0.0659
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0402 0.0412
Brugia malayi steroid hormone receptor 0.0034 0.0402 0.0412
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0402 0.0402
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0161 0.0161
Echinococcus multilocularis cpg binding protein 0.0034 0.0403 0.066
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0161 0.0165
Brugia malayi nuclear receptor NHR-67 0.0016 0.0161 0.0165
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0187 0.0306
Loa Loa (eye worm) nuclear receptor NHR-67 0.0016 0.0161 0.0165
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0402 0.0659
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0402 0.0659
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Schistosoma mansoni nuclear receptor nhr-48 0.0016 0.0161 0.0263
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0079 0.013
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0937 1
Loa Loa (eye worm) histone methyltransferase 0.001 0.0079 0.0081
Brugia malayi nuclear receptor RXR 0.0016 0.0161 0.0165
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0402 0.0659
Schistosoma mansoni cpg binding protein 0.0032 0.0378 0.0619
Brugia malayi nuclear receptor NHR-88 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.071 0.9543 0.9779
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0016 0.0161 0.0263
Onchocerca volvulus 0.0016 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Schistosoma mansoni nuclear receptor 0.0016 0.0161 0.0263
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0161 0.0263
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0402 0.0412
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0078 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0692 0.1133
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Echinococcus granulosus nuclear receptor nhr 48 0.0016 0.0161 0.0263
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0692 0.1133
Mycobacterium leprae PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD 0.0004 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0937 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0692 0.1133
Trichomonas vaginalis helicase, putative 0.0007 0.0044 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0402 0.0412
Onchocerca volvulus 0.0032 0.0378 0.0378
Brugia malayi conserved hypotetical protein 0.0016 0.0161 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0937 0.1533
Echinococcus multilocularis nuclear receptor nhr 48 0.0016 0.0161 0.0263
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0402 0.0659
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0402 0.0659
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Mycobacterium leprae PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0402 0.0412
Echinococcus granulosus dnaJ subfamily B 0.0456 0.6108 1
Brugia malayi nuclear hormone receptor 0.0034 0.0402 0.0412
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0187 0.0191
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0402 0.0412
Schistosoma mansoni zinc finger protein 0.0016 0.0161 0.0263
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0016 0.0161 0.0263
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0016 0.0161 0.0263
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0402 0.0659
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0053 0.0087
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0402 0.0659
Brugia malayi ecdysone receptor 0.0016 0.0161 0.0165
Brugia malayi Nuclear hormone receptor E75 0.0016 0.0161 0.0165
Schistosoma mansoni cpg binding protein 0.0034 0.0403 0.066
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0191
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0004 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0187 0.0306
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0692 0.1133
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0187 0.0191
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Trypanosoma cruzi aldehyde dehydrogenase family, putative 0.0004 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Brugia malayi hypothetical protein 0.0018 0.0187 0.0191
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0402 0.0659
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0191
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0191
Brugia malayi nuclear hormone receptor 0.0726 0.9759 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0016 0.0161 0.0263
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0402 0.0659
Schistosoma mansoni hypothetical protein 0.0058 0.0725 0.1186
Treponema pallidum gamma-glutamyl phosphate reductase 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Mycobacterium leprae PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE 0.0004 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0692 0.1133
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0053 0.0087
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0079 0.013
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0402 0.0412
Brugia malayi hypothetical protein 0.0018 0.0187 0.0191
Brugia malayi orphan nuclear receptor NR2E1 0.0016 0.0161 0.0165
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0402 0.0659
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0191
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Loa Loa (eye worm) hypothetical protein 0.0018 0.0187 0.0191
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0161 0.0263
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Onchocerca volvulus 0.0034 0.0402 0.0402
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0402 0.0412
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0004 0 0.5
Brugia malayi tailless protein 0.0016 0.0161 0.0165
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0692 0.1133
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0692 0.0709
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0402 0.0659
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0004 0 0.5
Brugia malayi nuclear hormone receptor family member nhr-6 0.0016 0.0161 0.0165
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0004 0 0.5
Schistosoma mansoni coup transcription factor 0.0034 0.0402 0.0659
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0187 0.0306
Trypanosoma brucei delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0004 0 0.5
Brugia malayi CXXC zinc finger family protein 0.0032 0.0378 0.0388
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0402 0.0412
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0187 0.0306
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0692 0.0709
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0016 0.0161 0.0165
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.0161 0.0263
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0937 0.1533
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0004 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0402 0.0412
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0402 0.0659
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0402 0.0659
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0937 1
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0402 0.0412
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0053 0.0087
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0402 0.0659
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0937 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0692 0.1133
Trypanosoma cruzi delta-1-pyrroline-5-carboxylate dehydrogenase, putative 0.0004 0 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0726 0.9759 1
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0004 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0402 0.0659
Echinococcus granulosus thyroid hormone receptor alpha 0.0016 0.0161 0.0263
Loa Loa (eye worm) nuclear hormone receptor 0.0016 0.0161 0.0165
Echinococcus granulosus cpg binding protein 0.0034 0.0403 0.066
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0402 0.0412
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0004 0 0.5
Loa Loa (eye worm) DR-78 0.0016 0.0161 0.0165
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0008 0.0012
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0402 0.0659
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0937 0.1533
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0053 0.0087
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0402 0.0412
Brugia malayi hypothetical protein 0.0016 0.0161 0.0165
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0863 0.1413
Trypanosoma brucei aldehyde dehydrogenase, putative 0.0004 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0402 0.0402
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0402 0.0412
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0378 0.0388
Trypanosoma brucei aldehyde dehydrogenase family, putative 0.0004 0 0.5
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0161 0.0263
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0016 0.0161 0.0263
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0402 0.0412
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0402 0.0412
Brugia malayi nuclear hormone receptor family member odr-7 0.0016 0.0161 0.0165
Brugia malayi nuclear receptor NHR-88 0.0016 0.0161 0.0165
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0016 0.0161 0.0263
Brugia malayi nuclear receptor RXR 0.0018 0.0187 0.0191
Schistosoma mansoni nuclear receptor 0.0016 0.0161 0.0263
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0402 0.0659
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0016 0.0161 0.0263
Wolbachia endosymbiont of Brugia malayi bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase 0.0004 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0402 0.0659
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0402 0.0659
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0402 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0402 0.0412
Onchocerca volvulus 0.0016 0.0161 0.0161
Schistosoma mansoni nuclear hormone receptor 0.0016 0.0161 0.0263
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0402 0.0659
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0402 0.0659
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0044 1
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.0004 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0402 0.0659
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0402 0.0659
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0402 0.0412
Brugia malayi ecdysteroid receptor 0.0034 0.0402 0.0412
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0402 0.0659
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0402 0.0659
Trypanosoma cruzi aldehyde dehydrogenase, putative 0.0004 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0402 0.0412
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0402 0.0412
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0402 0.0659
Echinococcus multilocularis dnaJ subfamily B 0.0456 0.6108 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0937 0.1533
Trypanosoma cruzi pyrroline-5-carboxylate synthetase-like protein, putative 0.0004 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0402 0.0659
Brugia malayi hypothetical protein 0.0016 0.0161 0.0165
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0016 0.0161 0.0161
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0937 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0402 0.0412
Loa Loa (eye worm) hypothetical protein 0.0034 0.0402 0.0412
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0044 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0053 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0044 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0161 0.0165

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 142.017 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
EC50 (binding) > 300 um PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 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) 23.1093 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) 29.081 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) 35.4813 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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