Detailed information for compound 101740

Basic information

Technical information
  • TDR Targets ID: 101740
  • Name: 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfophenyl) sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydr oxy-3-sulfobenzoic acid
  • MW: 744.701 | Formula: C26H20N2O16S4
  • H donors: 8 H acceptors: 16 LogP: 1.54 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC(=O)c1cc(cc(c1O)S(=O)(=O)O)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)S(=O)(=O)Nc1cc(C(=O)O)c(c(c1)S(=O)(=O)O)O
  • InChi: 1S/C26H20N2O16S4/c29-23-19(25(31)32)9-15(11-21(23)47(39,40)41)27-45(35,36)17-5-1-13(2-6-17)14-3-7-18(8-4-14)46(37,38)28-16-10-20(26(33)34)24(30)22(12-16)48(42,43)44/h1-12,27-30H,(H,31,32)(H,33,34)(H,39,40,41)(H,42,43,44)
  • InChiKey: LLVJOTOBECBOEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-[[4-[4-[(3-carboxy-4-hydroxy-5-sulfo-phenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-2-hydroxy-3-sulfo-benzoic acid
  • AIDS004865
  • Benzoic acid, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(sulfonylimino)]bis[6-hydroxy-5-sulfo-
  • 144790-53-4 (TETRASODIUM SALT)
  • AIDS-004865

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0258 0.0387
Schistosoma mansoni single-minded 0.0013 0.0204 0.0216
Echinococcus granulosus Nuclear hormone receptor HR96 0.0007 0.004 0.0027
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0012 0.0174 0.0238
Schistosoma mansoni nuclear hormone receptor 0.0007 0.004 0.003
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0015 0.0245 0.0365
Schistosoma mansoni sodium/chloride dependent transporter 0.0015 0.0258 0.0277
Onchocerca volvulus 0.0015 0.0258 0.0387
Echinococcus multilocularis neuropeptide s receptor 0.0383 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0204 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.0245 0.0365
Schistosoma mansoni nuclear receptor nhr-48 0.0007 0.004 0.003
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0007 0.004 0.0027
Echinococcus granulosus nuclear receptor nhr 48 0.0007 0.004 0.0027
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0008 0.0062 0.0049
Plasmodium vivax amine transporter, putative 0.0015 0.0258 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0015 0.0258 0.0387
Echinococcus granulosus sodium and chloride dependent glycine 0.0078 0.1915 0.1903
Onchocerca volvulus 0.0015 0.0258 0.0387
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0015 0.0245 0.0232
Brugia malayi nuclear receptor NHR-88 0.0015 0.0245 0.0365
Onchocerca volvulus Bile acid receptor homolog 0.0015 0.0245 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0015 0.0245 0.0365
Loa Loa (eye worm) hypothetical protein 0.0022 0.0438 0.0707
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0007 0.004 0.0027
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0204 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0258 0.0277
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0163
Trichomonas vaginalis guanylate cyclase, putative 0.0013 0.0204 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0013 0.021 0.0222
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0204 0.5
Brugia malayi hypothetical protein 0.0031 0.0671 0.1121
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0038
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0008 0.0062 0.0039
Echinococcus multilocularis sodium and chloride dependent glycine 0.0078 0.1915 0.1903
Brugia malayi steroid hormone receptor 0.0015 0.0245 0.0365
Onchocerca volvulus 0.0044 0.1011 0.1727
Echinococcus multilocularis musashi 0.0022 0.0449 0.0436
Loa Loa (eye worm) steroid hormone receptor 0.0015 0.0245 0.0365
Brugia malayi nuclear hormone receptor 0.0015 0.0245 0.0365
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0219 0.5662 1
Entamoeba histolytica hypothetical protein 0.003 0.0646 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0008 0.0062 0.0055
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0007 0.004 0.0027
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Schistosoma mansoni hypothetical protein 0.003 0.0646 0.0718
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0078 0.1915 0.3334
Schistosoma mansoni cpg binding protein 0.0025 0.0523 0.0578
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Schistosoma mansoni cpg binding protein 0.0024 0.0487 0.0537
Schistosoma mansoni vesicular acetylcholine transporter 0.0219 0.5662 0.6408
Brugia malayi hypothetical protein 0.0008 0.0062 0.0039
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0031 0.0671 0.1121
Echinococcus granulosus cpg binding protein 0.0025 0.0523 0.051
Trichomonas vaginalis adenylate cyclase, putative 0.0013 0.0204 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0204 0.5
Schistosoma mansoni hypothetical protein 0.0339 0.8829 1
Brugia malayi vesicular acetylcholine transporter unc-17 0.0219 0.5662 1
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0013 0.021 0.0196
Brugia malayi hypothetical protein 0.0044 0.1011 0.1727
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0007 0.004 0.0027
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0052 0.0038
Loa Loa (eye worm) norepinephrine transporter 0.0015 0.0258 0.0387
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0015 0.0245 0.0232
Loa Loa (eye worm) intermediate filament protein 0.0022 0.0449 0.0727
Leishmania major protein kinase, putative 0.0013 0.0204 0.5
Onchocerca volvulus 0.0022 0.0449 0.0727
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0245 0.0232
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0015 0.0245 0.0263
Loa Loa (eye worm) hypothetical protein 0.0011 0.0143 0.0182
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Echinococcus granulosus vesicular acetylcholine transporter 0.0219 0.5662 0.5656
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0078 0.1915 0.3334
Brugia malayi PAS domain containing protein 0.0013 0.0204 0.0291
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0258 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.0245 0.0365
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0031 0.0671 0.1121
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0015 0.0245 0.0232
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0011 0.0143 0.0129
Schistosoma mansoni zinc finger protein 0.0007 0.004 0.003
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0007 0.004 0.0027
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Echinococcus multilocularis sodium and chloride dependent glycine 0.0078 0.1915 0.1903
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0015 0.0245 0.0365
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0062 0.0055
Entamoeba histolytica hypothetical protein 0.003 0.0646 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Loa Loa (eye worm) CXXC zinc finger family protein 0.0024 0.0487 0.0795
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0015 0.0245 0.0263
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0031 0.0671 0.0745
Schistosoma mansoni lamin 0.0022 0.0449 0.0493
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0015 0.0245 0.0263
Loa Loa (eye worm) hypothetical protein 0.0013 0.0204 0.0291
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Echinococcus granulosus neuropeptide receptor A26 0.0383 1 1
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0.0204 1
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0219 0.5662 1
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.005 0.0017
Plasmodium falciparum amino acid transporter, putative 0.0015 0.0258 0.5
Entamoeba histolytica hypothetical protein 0.003 0.0646 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0015 0.0258 0.0244
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.0245 0.0365
Loa Loa (eye worm) hypothetical protein 0.0008 0.0062 0.0039
Brugia malayi Steroid receptor seven-up type 2 0.0015 0.0245 0.0365
Schistosoma mansoni coup transcription factor 0.0015 0.0245 0.0263
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0015 0.0245 0.0365
Onchocerca volvulus Protein ultraspiracle homolog 0.0015 0.0245 0.0365
Brugia malayi nuclear receptor RXR 0.0008 0.0062 0.0039
Echinococcus multilocularis nuclear receptor nhr 48 0.0007 0.004 0.0027
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0015 0.0258 0.0244
Echinococcus multilocularis thyroid hormone receptor alpha 0.0015 0.0245 0.0232
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0015 0.0245 0.0365
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0015 0.0258 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0015 0.0245 0.0365
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0015 0.0245 0.0365
Onchocerca volvulus Protein cycle homolog 0.0031 0.0671 0.1121
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0015 0.0258 0.0244
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0015 0.0258 0.0244
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0015 0.0245 0.0365
Echinococcus granulosus intermediate filament protein 0.0022 0.0449 0.0436
Echinococcus granulosus Nuclear hormone receptor HR96 0.0007 0.004 0.0027
Loa Loa (eye worm) hypothetical protein 0.0008 0.0062 0.0039
Brugia malayi hypothetical protein 0.003 0.0646 0.1078
Echinococcus granulosus FTZ F1 alpha 0.0015 0.0245 0.0232
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0013 0.0204 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0007 0.004 0.0027
Mycobacterium leprae Possible regulatory protein 0.0013 0.0204 0.5
Echinococcus granulosus aryl hydrocarbon receptor 0.0044 0.1017 0.1005
Echinococcus multilocularis cpg binding protein 0.0025 0.0523 0.051
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0245 0.0232
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0013 0.0204 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Echinococcus multilocularis vesicular acetylcholine transporter 0.0219 0.5662 0.5656
Schistosoma mansoni RAR-like nuclear receptor 0.0015 0.0245 0.0263
Onchocerca volvulus 0.0015 0.0258 0.0387
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.003 0.0646 0.0633
Loa Loa (eye worm) hypothetical protein 0.0022 0.0449 0.0727
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0031 0.0671 0.1121
Treponema pallidum sodium- and chloride- dependent transporter 0.0015 0.0258 0.5
Schistosoma mansoni transcription factor LCR-F1 0.003 0.0646 0.0718
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0011 0.0143 0.0129
Brugia malayi ecdysteroid receptor 0.0015 0.0245 0.0365
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Schistosoma mansoni sodium-dependent amino acid transporter 0.0015 0.0258 0.0277
Schistosoma mansoni nuclear hormone receptor 0.0007 0.004 0.003
Echinococcus multilocularis dnaJ subfamily B 0.0339 0.8829 0.8827
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0044 0.1017 0.1738
Schistosoma mansoni thyroid hormone receptor 0.0015 0.0245 0.0263
Schistosoma mansoni sodium/chloride dependent transporter 0.0078 0.1915 0.2156
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Loa Loa (eye worm) hypothetical protein 0.003 0.0665 0.1111
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Toxoplasma gondii histone lysine methyltransferase SET1 0.0045 0.1051 1
Leishmania major protein kinase, putative 0.0013 0.0204 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0204 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0245 0.0232
Brugia malayi Intermediate filament tail domain containing protein 0.0022 0.0449 0.0727
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0258 0.0387
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0013 0.0204 0.5
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0013 0.0204 0.5
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0204 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0078 0.1915 0.1903
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Brugia malayi intermediate filament protein 0.0022 0.0449 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0015 0.0245 0.0365
Schistosoma mansoni retinoic acid receptor RXR 0.0015 0.0245 0.0263
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0015 0.0245 0.0365
Brugia malayi cytoplasmic intermediate filament protein 0.0012 0.0174 0.0238
Schistosoma mansoni sodium/chloride dependent transporter 0.0078 0.1915 0.2156
Loa Loa (eye worm) hypothetical protein 0.0078 0.1915 0.3334
Echinococcus multilocularis serotonin transporter 0.0015 0.0258 0.0244
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0015 0.0245 0.0232
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0245 0.0365
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0007 0.004 0.003
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0245 0.0263
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.003 0.0646 0.0633
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0015 0.0245 0.0365
Loa Loa (eye worm) hypothetical protein 0.003 0.0665 0.1111
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0015 0.0245 0.0263
Brugia malayi CXXC zinc finger family protein 0.0024 0.0487 0.0795
Loa Loa (eye worm) serotonin transporter b 0.0015 0.0258 0.0387
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0015 0.0245 0.0365
Onchocerca volvulus 0.0024 0.0487 0.0795
Echinococcus granulosus serotonin transporter 0.0015 0.0258 0.0244
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0258 0.0277
Schistosoma mansoni thyroid hormone receptor 0.0015 0.0245 0.0263
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0204 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Schistosoma mansoni cpg binding protein 0.0025 0.0523 0.0578
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0013 0.0204 0.5
Loa Loa (eye worm) histone methyltransferase 0.0007 0.0052 0.0021
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Brugia malayi aryl hydrocarbon receptor AHR-1 0.003 0.0665 0.1111
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0015 0.0258 0.0244
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0015 0.0258 0.0387
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0062 0.0039
Echinococcus granulosus dnaJ subfamily B 0.0339 0.8829 0.8827
Schistosoma mansoni steroid hormone receptor ad4bp 0.0015 0.0245 0.0263
Loa Loa (eye worm) hypothetical protein 0.0008 0.0062 0.0039
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0007 0.004 0.0027
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0062 0.0039
Loa Loa (eye worm) hypothetical protein 0.0015 0.0245 0.0365
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Trichomonas vaginalis guanylate cyclase, putative 0.0013 0.0204 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0015 0.0245 0.0232
Schistosoma mansoni lamin 0.0022 0.0449 0.0493
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0007 0.004 0.003
Brugia malayi hypothetical protein 0.0008 0.0062 0.0039
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0015 0.0258 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0015 0.0245 0.0365
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0245 0.0263
Loa Loa (eye worm) hypothetical protein 0.003 0.0665 0.1111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.005 0.1193 0.1338
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0245 0.0232
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0015 0.0258 0.0244
Echinococcus multilocularis aryl hydrocarbon receptor 0.0044 0.1017 0.1005
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0015 0.0245 0.0365
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0008 0.0062 0.0049
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0013 0.021 0.0196
Echinococcus granulosus lamin 0.0022 0.0449 0.0436
Echinococcus multilocularis neuropeptide receptor A26 0.0383 1 1
Schistosoma mansoni nuclear receptor 0.0007 0.004 0.003
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0015 0.0245 0.0263
Loa Loa (eye worm) hypothetical protein 0.001 0.0132 0.0163
Loa Loa (eye worm) hypothetical protein 0.003 0.0665 0.1111
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0015 0.0258 0.0277
Onchocerca volvulus 0.0015 0.0258 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0015 0.0245 0.0365
Brugia malayi photoreceptor-specific nuclear receptor 0.0015 0.0245 0.0365
Brugia malayi hypothetical protein 0.003 0.0665 0.1111
Loa Loa (eye worm) hypothetical protein 0.0008 0.0062 0.0039
Echinococcus granulosus lamin dm0 0.0022 0.0449 0.0436
Onchocerca volvulus 0.0015 0.0245 0.0365
Schistosoma mansoni nuclear receptor 0.0007 0.004 0.003
Brugia malayi hypothetical protein 0.0015 0.0258 0.0387
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0022 0.0449 0.0727
Loa Loa (eye worm) hypothetical protein 0.0008 0.0062 0.0039
Loa Loa (eye worm) solute carrier family 6 member 4 0.0015 0.0258 0.0387
Echinococcus multilocularis lamin 0.0022 0.0449 0.0436
Loa Loa (eye worm) hypothetical protein 0.0078 0.1915 0.3334
Schistosoma mansoni intermediate filament proteins 0.0022 0.0449 0.0493
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0015 0.0245 0.0232
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0015 0.0245 0.0232
Echinococcus granulosus ecdysone induced protein 78C 0.0015 0.0245 0.0232
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0013 0.0204 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0015 0.0245 0.0232
Entamoeba histolytica hypothetical protein 0.003 0.0646 0.5
Plasmodium falciparum transporter, putative 0.0015 0.0258 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0007 0.004 0.0027
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0015 0.0245 0.0232
Onchocerca volvulus 0.0022 0.0449 0.0727
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0015 0.0245 0.0365
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0015 0.0245 0.0365
Plasmodium vivax hypothetical protein, conserved 0.0015 0.0258 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0015 0.0245 0.0232
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0015 0.0258 0.0277
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0015 0.0245 0.0232
Echinococcus multilocularis lamin dm0 0.0022 0.0449 0.0436
Loa Loa (eye worm) hypothetical protein 0.0044 0.1011 0.1727
Loa Loa (eye worm) hypothetical protein 0.0015 0.0258 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0015 0.0245 0.0365

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 100 uM Cytotoxicity of the compound against HIV-1 in MT-4 cells was evaluated by using a clinical strain (HE) ChEMBL. 8336338
CC50 (functional) = 247 uM Cytotoxicity of the compound against HIV-1 (HTLV-IIIB) in MT-4 cells ChEMBL. 8336338
CC50 (ADMET) = 247 uM Evaluated for 50% cytotoxic concentration based on reduction of viability of mock-infected cells ChEMBL. 1282569
EC50 (functional) = 7.5 uM Antiviral activity against HIV-1 in MT-4 cells was evaluated by using a clinical strain (HE) ChEMBL. 8336338
EC50 (functional) = 52.5 uM Antiviral activity against HIV-1 (HTLV-IIIB) in MT-4 cells ChEMBL. 8336338
EC50 (functional) = 52.5 uM Evaluated for 50% antiviral effective concentration based on inhibition of HIV-1(HTLV-IIIB) induced cytopathogenicity in MT-4 cells ChEMBL. 1282569
IC50 (functional) = 37 uM Inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell ChEMBL. 8336338
IC50 (binding) = 427 uM Inhibition of purified HIV-1 reverse transcriptase ChEMBL. 1282569
IC50 (binding) = 478 uM Inhibition of purified HIV-2 reverse transcriptase ChEMBL. 1282569
Inhibition (functional) = 0 % Percentage inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell at 4 microM ChEMBL. 8336338
Inhibition (functional) = 3 % Percentage inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell at 0.8 microM ChEMBL. 8336338
Inhibition (functional) = 22 % Percentage inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell at 20 microM ChEMBL. 8336338
Inhibition (functional) = 94 % Percentage inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell at 100 microM ChEMBL. 8336338
Inhibition (functional) = 100 % Percentage inhibition of HIV-1-induced giant cell (syncytia) formation using MOLT-4 cell at 500 microM ChEMBL. 8336338

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

2 literature references were collected for this gene.

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