Detailed information for compound 1554980

Basic information

Technical information
  • TDR Targets ID: 1554980
  • Name: 4-[4-(3-methylbenzoyl)piperidin-1-yl]sulfonyl benzoic acid
  • MW: 387.449 | Formula: C20H21NO5S
  • H donors: 1 H acceptors: 5 LogP: 2.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C(=O)O
  • InChi: 1S/C20H21NO5S/c1-14-3-2-4-17(13-14)19(22)15-9-11-21(12-10-15)27(25,26)18-7-5-16(6-8-18)20(23)24/h2-8,13,15H,9-12H2,1H3,(H,23,24)
  • InChiKey: NXDDWFAPTWKDDQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[4-(3-methylbenzoyl)-1-piperidyl]sulfonyl]benzoic acid
  • 4-[[4-[(3-methylphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid
  • 4-[4-(3-methylphenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid
  • 4-[4-(3-Methyl-benzoyl)-piperidine-1-sulfonyl]-benzoic acid
  • ASN 06586586

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
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
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Echinococcus granulosus geminin 0.0339 0.3981 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0023 0.0022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0206 0.2376 0.6123
Echinococcus multilocularis nuclear receptor nhr 48 0.001 0.0006 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0135 0.0348
Brugia malayi hypothetical protein 0.0011 0.002 0.0051
Brugia malayi tailless protein 0.001 0.0006 0.0015
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0088 0.0222
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0206 0.2376 0.6122
Echinococcus granulosus aryl hydrocarbon receptor 0.0055 0.055 0.1378
Brugia malayi hypothetical protein 0.0038 0.035 0.0901
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0038 0.0353 0.091
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Schistosoma mansoni coup transcription factor 0.002 0.0135 0.0325
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0311 0.066
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0311 0.066
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0135 0.0348
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.001 0.0006 0.0011
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.001 0.0006 0.0004
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0135 0.0134
Mycobacterium leprae Probable lipase LipE 0.0035 0.0311 0.066
Brugia malayi nuclear hormone receptor family member odr-7 0.001 0.0006 0.0015
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0311 0.9348
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0135 0.0134
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0038 0.0353 0.0906
Leishmania major protein kinase, putative 0.0016 0.0088 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0327 0.063
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0088 0.0002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0135 0.0325
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0017 0.0091 0.0225
Brugia malayi beta-lactamase 0.0035 0.0311 0.0801
Loa Loa (eye worm) nuclear receptor nhr-7B 0.001 0.0006 0.0011
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.065 0.1621
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.0038 0.035 0.0898
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0135 0.2386
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0088 0.0086
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0327 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0311 0.066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0135 0.0348
Leishmania major basic transcription factor 3a, putative 0.0036 0.0327 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0472 0.0471
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0047
Brugia malayi beta-NAC-like protein 0.0036 0.0327 0.0842
Onchocerca volvulus 0.0035 0.0311 0.5641
Schistosoma mansoni survival motor neuron protein 0.0047 0.0454 0.1126
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0135 0.0134
Brugia malayi beta-lactamase family protein 0.0035 0.0311 0.0801
Loa Loa (eye worm) nuclear hormone receptor 0.001 0.0006 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0135 0.0348
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.001 0.0006 0.0015
Brugia malayi hypothetical protein 0.001 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0135 0.0348
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0135 0.0335
Brugia malayi nuclear receptor NHR-67 0.001 0.0006 0.0015
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0311 0.0767
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0186 0.029
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0135 0.0325
Brugia malayi steroid hormone receptor 0.002 0.0135 0.0348
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0135 0.0344
Brugia malayi Calcitonin receptor-like protein seb-1 0.0206 0.2376 0.6123
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0135 0.0325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0472 0.1173
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0135 0.0348
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0135 0.0348
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0135 0.0344
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0311 0.0589
Brugia malayi nuclear hormone receptor 0.001 0.0006 0.0015
Loa Loa (eye worm) glutaminase 2 0.033 0.388 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0086
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0662
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0135 0.0325
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2651 0.265
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0006 0.0011
Brugia malayi hypothetical protein 0.0228 0.2651 0.6834
Loa Loa (eye worm) hypothetical protein 0.0054 0.0547 0.1406
Mycobacterium tuberculosis Conserved protein 0.0035 0.0311 0.066
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0311 0.0801
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0311 0.031
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0677 0.1697
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0135 0.0134
Brugia malayi hypothetical protein 0.0024 0.0186 0.0478
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0135 0.0344
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Brugia malayi hypothetical protein 0.0016 0.0081 0.0209
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0135 0.0134
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0311 0.9348
Treponema pallidum hypothetical protein 0.0296 0.3472 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0047
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0296 0.3472 1
Leishmania major hypothetical protein, conserved 0.0035 0.0311 0.9348
Brugia malayi ecdysone receptor 0.001 0.0006 0.0015
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0135 0.0134
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0135 0.0325
Schistosoma mansoni hypothetical protein 0.0065 0.0677 0.1688
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Echinococcus granulosus nuclear receptor nhr 48 0.001 0.0006 0.0011
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0311 0.0589
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0296 0.3472 0.8857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0135 0.0344
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0135 0.2386
Brugia malayi hypothetical protein 0.0011 0.002 0.0051
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0454 0.1169
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0677 0.1745
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0311 0.0589
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0311 0.066
Loa Loa (eye worm) nuclear receptor NHR-67 0.001 0.0006 0.0011
Brugia malayi Nuclear hormone receptor E75 0.001 0.0006 0.0015
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0311 0.0798
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0296 0.3472 1
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.1589 0.4097
Brugia malayi PAS domain containing protein 0.0016 0.0088 0.0226
Brugia malayi nuclear receptor RXR 0.001 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0472 0.1173
Brugia malayi nuclear receptor NHR-88 0.002 0.0135 0.0348
Schistosoma mansoni thyroid hormone receptor 0.002 0.0135 0.0325
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0135 0.0344
Schistosoma mansoni thyroid hormone receptor 0.002 0.0135 0.0325
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0311 0.0589
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Echinococcus multilocularis cpg binding protein 0.0031 0.0269 0.0268
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0327 0.4963
Brugia malayi isocitrate dehydrogenase 0.0016 0.0088 0.0226
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0135 0.0335
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0011 0.002 0.0035
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0135 0.0348
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0135 0.0344
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0311 0.066
Brugia malayi hypothetical protein 0.0054 0.0547 0.1409
Schistosoma mansoni hypothetical protein 0.0065 0.0677 0.1688
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0135 0.0325
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Brugia malayi ecdysteroid receptor 0.002 0.0135 0.0348
Loa Loa (eye worm) beta-lactamase 0.0035 0.0311 0.0798
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0472 0.1183
Loa Loa (eye worm) hypothetical protein 0.0038 0.035 0.0898
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0222
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Leishmania major hypothetical protein, conserved 0.0024 0.0186 0.4102
Echinococcus granulosus transcription factor btf3 0.0036 0.0327 0.0817
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0135 0.0335
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0135 0.0348
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0135 0.0325
Onchocerca volvulus 0.0054 0.0547 1
Onchocerca volvulus 0.002 0.0135 0.2386
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0047
Onchocerca volvulus 0.0035 0.0311 0.5641
Leishmania major protein kinase, putative 0.0016 0.0088 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0186 0.029
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0135 0.0344
Loa Loa (eye worm) hypothetical protein 0.0038 0.035 0.0898
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0135 0.0335
Schistosoma mansoni cpg binding protein 0.003 0.0249 0.0611
Echinococcus granulosus Nuclear hormone receptor HR96 0.001 0.0006 0.0011
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0472 0.0471
Loa Loa (eye worm) hypothetical protein 0.0065 0.0677 0.1742
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2576 0.7353
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0135 0.0134
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0249 0.0638
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0677 0.0676
Brugia malayi hypothetical protein 0.0038 0.0353 0.091
Brugia malayi conserved hypotetical protein 0.001 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.0038 0.035 0.0898
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Echinococcus multilocularis aryl hydrocarbon receptor 0.0055 0.055 0.0549
Echinococcus granulosus thyroid hormone receptor alpha 0.001 0.0006 0.0011
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0135 0.0134
Loa Loa (eye worm) hypothetical protein 0.0228 0.2651 0.6832
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0186 0.2036
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0311 0.066
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0472 0.1214
Onchocerca volvulus 0.0047 0.0454 0.8281
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0038 0.0353 0.091
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0016 0.0088 0.0002
Loa Loa (eye worm) glutaminase 0.033 0.388 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.001 0.0006 0.0015
Schistosoma mansoni cpg binding protein 0.0031 0.0269 0.0662
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0088 0.0226
Brugia malayi orphan nuclear receptor NR2E1 0.001 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Brugia malayi nuclear receptor RXR 0.0011 0.002 0.0051
Schistosoma mansoni hypothetical protein 0.0065 0.0677 0.1688
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0135 0.0335
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0016 0.0088 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0135 0.0344
Trichomonas vaginalis esterase, putative 0.0035 0.0311 0.0589
Schistosoma mansoni aryl hydrocarbon receptor 0.0017 0.0091 0.0214
Schistosoma mansoni hypothetical protein 0.0065 0.0677 0.1688
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0677 0.1745
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0569 1
Schistosoma mansoni hypothetical protein 0.0339 0.3981 1
Echinococcus multilocularis GPCR, family 2 0.0065 0.0677 0.0676
Loa Loa (eye worm) hypothetical protein 0.0206 0.2376 0.6122
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0327 0.0838
Echinococcus granulosus GPCR family 2 0.0065 0.0677 0.1697
Mycobacterium ulcerans glutaminase 0.033 0.388 1
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0055 0.055 0.1414
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0086
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0088 0.0086
Schistosoma mansoni glutaminase 0.033 0.388 0.9744
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0088 0.0206
Onchocerca volvulus 0.0035 0.0311 0.5641
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0311 0.9348
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0135 0.0348
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0296 0.3472 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0023 0.0054
Schistosoma mansoni hypothetical protein 0.0047 0.0454 0.1126
Schistosoma mansoni hypothetical protein 0.0339 0.3981 1
Brugia malayi glutaminase DH11.1 0.033 0.388 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0011 0.002 0.0047
Echinococcus multilocularis geminin 0.0339 0.3981 0.398
Brugia malayi Nuclear hormone receptor E75 0.001 0.0006 0.0015
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0135 0.0325
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0006 0.0004
Brugia malayi hypothetical protein 0.001 0.0006 0.0015
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.002 0.0051
Brugia malayi nuclear receptor NHR-88 0.001 0.0006 0.0015
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0135 0.0348
Toxoplasma gondii ABC1 family protein 0.0035 0.0311 0.464
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0135 0.0348
Brugia malayi beta-lactamase family protein 0.0035 0.0311 0.0801
Schistosoma mansoni hypothetical protein 0.0011 0.0023 0.0043
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0135 0.0335
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0135 0.0348
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0086
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0217
Schistosoma mansoni hypothetical protein 0.0141 0.1589 0.3983
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0011 0.002 0.0046
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0016 0.0088 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0135 0.0348
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0327 0.063
Echinococcus multilocularis transcription factor btf3 0.0036 0.0327 0.0325
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0011 0.002 0.0018
Brugia malayi CXXC zinc finger family protein 0.003 0.0249 0.0641
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0186 0.029
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0327 0.0706
Loa Loa (eye worm) hypothetical protein 0.0141 0.1589 0.4094
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0135 0.0134
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0472 0.1183
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0327 0.0706
Echinococcus granulosus FTZ F1 alpha 0.002 0.0135 0.0335
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0311 0.066
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.001 0.0006 0.0004
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0311 0.066
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0088 0.0002
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0311 0.0767
Schistosoma mansoni transcription factor btf3 0.0036 0.0327 0.0807
Schistosoma mansoni single-minded 0.0016 0.0088 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0327 0.063
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0311 0.0778
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0006 0.0004
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0327 1
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0135 0.0325
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0311 0.066
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0038 0.0353 0.0873
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0186 0.4102
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0135 0.2386
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0186 0.4102
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0016 0.0088 0.0002
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0047
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0135 0.0348
Mycobacterium tuberculosis Conserved protein 0.0035 0.0311 0.066
Onchocerca volvulus Protein cycle homolog 0.0038 0.0353 0.6417
Brugia malayi nuclear hormone receptor 0.002 0.0135 0.0348
Onchocerca volvulus 0.003 0.0249 0.449
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.002 0.0051
Entamoeba histolytica hypothetical protein 0.0036 0.0327 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0677 0.1697
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0311 0.066
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0296 0.3472 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0006 0.0011
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0135 0.0335
Loa Loa (eye worm) hypothetical protein 0.0024 0.0186 0.0475
Echinococcus granulosus cpg binding protein 0.0031 0.0269 0.0673
Loa Loa (eye worm) hypothetical protein 0.0011 0.002 0.0047
Loa Loa (eye worm) hypothetical protein 0.0035 0.0311 0.0798
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0677 0.1742
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0016 0.0088 0.0002
Loa Loa (eye worm) hypothetical protein 0.001 0.0006 0.0011
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0016 0.0088 0.0002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0472 0.1217
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0038 0.035 0.0901
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0135 0.0335
Trichomonas vaginalis glutaminase, putative 0.033 0.388 1
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2651 0.6658
Schistosoma mansoni nuclear hormone receptor 0.002 0.0135 0.0325
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0472 0.1173
Loa Loa (eye worm) hypothetical protein 0.002 0.0135 0.0344
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0135 0.0348
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0017 0.0091 0.009
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0327 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0186 0.4102
Echinococcus multilocularis Nuclear hormone receptor HR96 0.001 0.0006 0.0004
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0327 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0311 0.0589
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0677 0.0676
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.002 0.0035
Loa Loa (eye worm) DR-78 0.001 0.0006 0.0011

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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