Detailed information for compound 1350283

Basic information

Technical information
  • TDR Targets ID: 1350283
  • Name: 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]et hyl]-2-sulfanylidene-1H-quinazolin-4-one
  • MW: 394.533 | Formula: C22H26N4OS
  • H donors: 1 H acceptors: 1 LogP: 3.59 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1N1CCN(CC1)CCn1c(=S)[nH]c2c(c1=O)cccc2)C
  • InChi: 1S/C22H26N4OS/c1-16-6-5-7-17(2)20(16)25-13-10-24(11-14-25)12-15-26-21(27)18-8-3-4-9-19(18)23-22(26)28/h3-9H,10-15H2,1-2H3,(H,23,28)
  • InChiKey: DLSIRKMGERQFMO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-[4-(2,6-dimethylphenyl)piperazin-1-yl]ethyl]-2-thioxo-1H-quinazolin-4-one
  • 3-[2-[4-(2,6-dimethylphenyl)-1-piperazinyl]ethyl]-2-thioxo-1H-quinazolin-4-one
  • 3-{2-[4-(2,6-dimethylphenyl)-1-piperazinyl]ethyl}-2-thioxo-2,3-dihydro-4(1H)-quinazolinone
  • MLS000974440
  • SMR000498173

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0177 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0177 0.0247
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0423 0.1945
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0088 0.0156
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.002 0.0004 0.0075
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0089 0.0159
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Brugia malayi Calcium binding EGF domain containing protein 0.0025 0.0044 0.0202
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0089 0.0188
Echinococcus multilocularis heat shock protein 90 0.0032 0.0094 0.0167
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0397 0.2721 0.2721
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.0572 0.1203
Schistosoma mansoni endoplasmin 0.0032 0.0094 0.0197
Schistosoma mansoni hypothetical protein 0.004 0.0152 0.0319
Echinococcus multilocularis tumor protein p63 0.0334 0.2269 0.4045
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.101 0.7142 1
Schistosoma mansoni peroxidasin 0.0078 0.0423 0.0889
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0087 0.0402
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0089 0.0159
Schistosoma mansoni hypothetical protein 0.004 0.0152 0.0319
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Echinococcus multilocularis fat cadherin tumor suppressor 0.0025 0.0044 0.0078
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0177 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0089 0.0411
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Schistosoma mansoni hypothetical protein 0.0358 0.2446 0.5147
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0089 0.0188
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0571 0.2631
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Echinococcus multilocularis peroxidasin 0.0078 0.0423 0.0753
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0089 0.0159
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0031 0.0088 0.0156
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) Notch2 0.0025 0.0044 0.0202
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0042 0.2371
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0089 0.0411
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0163 0.0342
Brugia malayi Cadherin domain containing protein 0.0025 0.0044 0.0202
Brugia malayi Calcium binding EGF domain containing protein 0.0025 0.0044 0.0202
Echinococcus multilocularis endoplasmin 0.0025 0.0047 0.0083
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0089 0.0411
Toxoplasma gondii ABC1 family protein 0.0043 0.0177 0.0632
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1865 0.2611
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.086 0.181
Plasmodium vivax endoplasmin, putative 0.0032 0.0094 0.3838
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Plasmodium vivax heat shock protein 86, putative 0.0032 0.0094 0.3838
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0089 0.0411
Brugia malayi isocitrate dehydrogenase 0.0031 0.0088 0.0404
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0031 0.0088 0.4967
Echinococcus multilocularis heat shock protein 90 0.0025 0.0047 0.0083
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0088 0.0305
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0089 0.0411
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0571 0.2631
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Schistosoma mansoni hypothetical protein 0.004 0.0152 0.0319
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0089 0.0188
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0089 0.0213
Loa Loa (eye worm) hypothetical protein 0.012 0.0731 0.3367
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Loa Loa (eye worm) isocitrate dehydrogenase 0.0031 0.0088 0.0404
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0089 0.0411
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0177 0.0247
Mycobacterium ulcerans hypothetical protein 0.0043 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0025 0.0047 0.0098
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0177 0.0371
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0089 0.0411
Echinococcus multilocularis Niemann Pick C1 protein 0.0097 0.0561 0.1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0042 0.4193
Echinococcus multilocularis protein jagged 1 0.0025 0.0044 0.0078
Brugia malayi steroid hormone receptor 0.0031 0.0089 0.0411
Brugia malayi nuclear receptor NHR-88 0.0031 0.0089 0.0411
Brugia malayi ecdysteroid receptor 0.0031 0.0089 0.0411
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0177 1
Brugia malayi hypothetical protein 0.0078 0.0423 0.1945
Brugia malayi Blistered cuticle protein 3 0.0078 0.0423 0.1945
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0089 0.0411
Schistosoma mansoni slit 0.0025 0.0044 0.0092
Onchocerca volvulus 0.0078 0.0423 0.1779
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0177 1
Echinococcus granulosus fibropellin Ia 0.0025 0.0044 0.0092
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.002 0.0004 0.0075
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0088 0.0156
Mycobacterium tuberculosis Conserved protein 0.0043 0.0177 0.0247
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0163 0.029
Mycobacterium ulcerans lipase LipD 0.0043 0.0177 0.0177
Schistosoma mansoni endoplasmin 0.0032 0.0094 0.0197
Echinococcus multilocularis GPCR, family 2 0.0031 0.0087 0.0156
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0031 0.0088 0.3402
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0089 0.0411
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0094 0.5299
Trypanosoma cruzi heat shock protein 90, putative 0.0025 0.0047 0.2643
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Brugia malayi CHE-14 protein 0.0042 0.0163 0.0749
Loa Loa (eye worm) hypothetical protein 0.0025 0.0042 0.0193
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0031 0.0088 0.4967
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0089 0.0188
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0042 0.4193
Echinococcus granulosus X box binding protein 1 0.0283 0.1905 0.4007
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0031 0.0088 0.0123
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Echinococcus multilocularis neural cadherin 0.0025 0.0044 0.0078
Brugia malayi Isocitrate dehydrogenase 0.0031 0.0088 0.0404
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0089 0.0411
Echinococcus multilocularis protein jagged 1 0.0025 0.0044 0.0078
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0423 0.1945
Onchocerca volvulus Huntingtin homolog 0.012 0.0731 0.3231
Onchocerca volvulus 0.0043 0.0177 0.0623
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Echinococcus multilocularis geminin 0.0358 0.2446 0.4361
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0177 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0089 0.0411
Leishmania major hypothetical protein, conserved 0.0043 0.0177 1
Echinococcus multilocularis X box binding protein 1 0.0283 0.1905 0.3396
Trichomonas vaginalis pc-MYB2, putative 0.002 0.0004 0.0239
Echinococcus granulosus peroxidasin 0.0078 0.0423 0.0889
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1407 1 1
Echinococcus granulosus neurogenic locus protein delta 0.0025 0.0044 0.0092
Echinococcus granulosus notch 0.0025 0.0044 0.0092
Echinococcus multilocularis neurogenic locus notch protein 0.0025 0.0044 0.0078
Giardia lamblia High cysteine protein 0.0025 0.0044 0.4695
Echinococcus multilocularis neurogenic locus notch protein 4 0.0025 0.0044 0.0078
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0089 0.0188
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0025 0.0044 0.0092
Echinococcus granulosus tumor protein p63 0.0334 0.2269 0.4774
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0088 0.4967
Plasmodium falciparum heat shock protein 90 0.0032 0.0094 1
Brugia malayi beta-lactamase 0.0043 0.0177 0.0813
Echinococcus granulosus heat shock protein 0.0032 0.0094 0.0197
Onchocerca volvulus 0.0078 0.0423 0.1779
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0042 0.2371
Echinococcus granulosus Niemann Pick C1 protein 0.0097 0.0561 0.118
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Schistosoma mansoni cell polarity protein 0.0025 0.0044 0.0092
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Echinococcus granulosus delta-like protein 1 0.0025 0.0044 0.0092
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0089 0.0188
Echinococcus granulosus neurogenic locus notch protein 0.0025 0.0044 0.0092
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0087 0.0402
Mycobacterium ulcerans beta-lactamase 0.0043 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0089 0.0159
Echinococcus multilocularis notch 0.0025 0.0044 0.0078
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0177 0.0247
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Brugia malayi beta-lactamase family protein 0.0043 0.0177 0.0813
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Schistosoma mansoni peroxidasin 0.0078 0.0423 0.0889
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0087 0.0402
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) notch protein 0.0025 0.0044 0.0202
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0177 0.0247
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0097 0.0561 1
Mycobacterium leprae probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS 0.0397 0.2721 0.3769
Schistosoma mansoni hypothetical protein 0.0031 0.0087 0.0184
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0089 0.0411
Echinococcus granulosus protein jagged 1 0.0025 0.0044 0.0092
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.0031 0.0087 0.0402
Echinococcus multilocularis neurogenic locus notch protein 0.0025 0.0044 0.0078
Schistosoma mansoni notch 0.0025 0.0044 0.0092
Brugia malayi Peroxidasin 0.0078 0.0423 0.1945
Onchocerca volvulus 0.0031 0.0089 0.0213
Loa Loa (eye worm) hypothetical protein 0.0097 0.0561 0.2582
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Echinococcus multilocularis protein dispatched 1 0.0047 0.0205 0.0365
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0089 0.0188
Toxoplasma gondii heat shock protein 90, putative 0.0032 0.0094 0.0327
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0177 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Trichomonas vaginalis heat shock protein, putative 0.002 0.0005 0.0256
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0089 0.0188
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0094 0.1668
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.002 0.0004 0.0075
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0089 0.0188
Schistosoma mansoni heat shock protein 0.0032 0.0094 0.0197
Echinococcus multilocularis slit 2 protein 0.0025 0.0044 0.0078
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0163 0.0342
Schistosoma mansoni patched 1 0.0042 0.0163 0.0342
Echinococcus granulosus microtubule associated protein 2 0.0679 0.4753 1
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0025 0.0044 0.0202
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0347 0.1599
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Onchocerca volvulus 0.0043 0.0177 0.0623
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0031 0.0088 0.0184
Onchocerca volvulus 0.0238 0.1577 0.7204
Toxoplasma gondii EGF family domain-containing protein 0.0025 0.0044 0.0144
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Onchocerca volvulus 0.0078 0.0423 0.1779
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0089 0.0411
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0177 0.0247
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0089 0.0188
Brugia malayi Cadherin domain containing protein 0.0025 0.0044 0.0202
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0089 0.0411
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Loa Loa (eye worm) blistered cuticle protein 3 0.0078 0.0423 0.1945
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.086 0.1534
Trichomonas vaginalis esterase, putative 0.0043 0.0177 1
Brugia malayi hypothetical protein 0.012 0.0731 0.3367
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0177 0.0247
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1407 1 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Brugia malayi Calcium binding EGF domain containing protein 0.0025 0.0044 0.0202
Schistosoma mansoni septate junction protein 0.0025 0.0044 0.0092
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Echinococcus granulosus heat shock protein 90 0.0032 0.0094 0.0197
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0423 0.1945
Trichomonas vaginalis pc-MYB2, putative 0.002 0.0004 0.0239
Loa Loa (eye worm) hypothetical protein 0.0051 0.023 0.1059
Giardia lamblia Heat shock protein HSP 90-alpha 0.0025 0.0047 0.4987
Trichomonas vaginalis endoplasmin, putative 0.002 0.0005 0.0256
Brugia malayi heat shock protein 90 0.0032 0.0094 0.0431
Giardia lamblia Grp94/Hsp90 0.0025 0.0047 0.4987
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0089 0.0188
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Trypanosoma brucei heat shock protein 90, putative 0.0032 0.0094 0.5299
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0094 0.5299
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Onchocerca volvulus Dual oxidase homolog 0.0078 0.0423 0.1779
Brugia malayi beta-lactamase family protein 0.0043 0.0177 0.0813
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0094 0.5299
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0087 0.0184
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0797 0.5609 1
Brugia malayi Muscle positioning protein 4 0.0025 0.0044 0.0202
Toxoplasma gondii isocitrate dehydrogenase 0.0031 0.0088 0.0305
Loa Loa (eye worm) endoplasmin 0.0032 0.0094 0.0431
Echinococcus granulosus geminin 0.0358 0.2446 0.5147
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0089 0.0188
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0397 0.2721 1
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.002 0.0004 0.0075
Loa Loa (eye worm) MH2 domain-containing protein 0.0243 0.1612 0.7421
Schistosoma mansoni heat shock protein 0.0032 0.0094 0.0197
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0423 0.1945
Giardia lamblia Heat shock protein HSP 90-alpha 0.0032 0.0094 1
Brugia malayi hypothetical protein 0.0025 0.0042 0.0193
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Schistosoma mansoni hypothetical protein 0.004 0.0152 0.0319
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0089 0.0411
Schistosoma mansoni hypothetical protein 0.0283 0.1905 0.4007
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0089 0.0159
Loa Loa (eye worm) hypothetical protein 0.0042 0.0163 0.0749
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Giardia lamblia Myb 1-like protein 0.002 0.0005 0.0521
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0089 0.0411
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0005 0.0277
Leishmania major hypothetical protein, conserved 0.0025 0.0042 0.2371
Schistosoma mansoni notch 0.0025 0.0044 0.0092
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Loa Loa (eye worm) hypothetical protein 0.0067 0.0347 0.1599
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0215 0.0453
Echinococcus multilocularis fibropellin Ia 0.0025 0.0044 0.0078
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0087 0.0184
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0089 0.0159
Brugia malayi hypothetical protein 0.032 0.2172 1
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0089 0.0188
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Trichomonas vaginalis MYB, putative 0.002 0.0005 0.0277
Trichomonas vaginalis MYB72, putative 0.002 0.0004 0.0239
Loa Loa (eye worm) pax transcription factor protein 2 0.0238 0.1577 0.726
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0177 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0177 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0177 0.0813
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.032 0.2172 1
Schistosoma mansoni notch 0.0025 0.0044 0.0092
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1407 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0089 0.0188
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0177 0.0371
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Echinococcus multilocularis neurogenic locus protein delta 0.0025 0.0044 0.0078
Echinococcus multilocularis isocitrate dehydrogenase 0.0031 0.0088 0.0156
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.002 0.0004 0.0075
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0089 0.0188
Loa Loa (eye worm) beta-lactamase 0.0043 0.0177 0.0813
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0005 0.0277
Onchocerca volvulus 0.0043 0.0177 0.0623
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0089 0.0188
Toxoplasma gondii heat shock protein HSP90 0.0032 0.0094 0.0327
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0177 0.0247
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0089 0.0188
Trypanosoma cruzi Heat shock protein 83, putative 0.0032 0.0094 0.5299
Loa Loa (eye worm) hypothetical protein 0.012 0.0731 0.3367
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0177 0.0177
Loa Loa (eye worm) transcription factor SMAD2 0.0243 0.1612 0.7421
Loa Loa (eye worm) heat shock protein 90 0.0032 0.0094 0.0431
Echinococcus granulosus protein jagged 1 0.0025 0.0044 0.0092
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0031 0.0088 0.0156
Brugia malayi Endoplasmin precursor 0.0032 0.0094 0.0431
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0089 0.0213
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0089 0.0188
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0423 0.1945
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0047 0.2643
Schistosoma mansoni notch 0.0025 0.0044 0.0092
Onchocerca volvulus Peroxidase homolog 0.0078 0.0423 0.1779
Schistosoma mansoni hypothetical protein 0.0031 0.0087 0.0184
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0177 0.0247
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0089 0.0411
Echinococcus multilocularis heat shock protein 0.0032 0.0094 0.0167
Trichomonas vaginalis C-MYB, putative 0.002 0.0004 0.0239
Trichomonas vaginalis MYB3r3, putative 0.002 0.0004 0.0239
Trichomonas vaginalis C-MYB, putative 0.002 0.0004 0.0239
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0089 0.0159
Loa Loa (eye worm) hypothetical protein 0.0043 0.0177 0.0813
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0177 0.0177
Brugia malayi Niemann-Pick C1 protein precursor 0.0097 0.0561 0.2582
Brugia malayi notch-like transmembrane receptor 0.0025 0.0044 0.0202
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0088 0.4967
Schistosoma mansoni laminin gamma-3 chain 0.0025 0.0044 0.0092
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0025 0.0047 0.0065
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0031 0.0088 0.0184
Brugia malayi MH2 domain containing protein 0.0243 0.1612 0.7421
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0094 0.5299
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0042 0.0136
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.4753 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Trypanosoma brucei Heat shock protein 83, putative 0.0032 0.0094 0.5299
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Echinococcus granulosus neural cadherin 0.0025 0.0044 0.0092
Onchocerca volvulus Peroxidase homolog 0.0078 0.0423 0.1779
Echinococcus multilocularis protein patched 0.0042 0.0163 0.029
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0089 0.0411
Schistosoma mansoni notch 0.0025 0.0044 0.0092
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0089 0.0188
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0163 0.9211
Echinococcus granulosus expressed conserved protein 0.0091 0.0519 0.1091
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Mycobacterium ulcerans heat shock protein 90 0.0025 0.0047 0.0047
Echinococcus granulosus protein jagged 2 0.0025 0.0044 0.0092
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.4753 0.8474
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Onchocerca volvulus 0.032 0.2172 1
Onchocerca volvulus Peroxidasin homolog 0.0078 0.0423 0.1779
Schistosoma mansoni hypothetical protein 0.0031 0.0087 0.0184
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Echinococcus granulosus GPCR family 2 0.0031 0.0087 0.0184
Echinococcus granulosus slit 2 protein 0.0025 0.0044 0.0092
Schistosoma mansoni hypothetical protein 0.0067 0.0347 0.0731
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Echinococcus granulosus neurogenic locus notch protein 4 0.0025 0.0044 0.0092
Mycobacterium leprae Probable lipase LipE 0.0043 0.0177 0.0183
Entamoeba histolytica heat shock protein 90, putative 0.0032 0.0094 0.1668
Schistosoma mansoni hypothetical protein 0.0358 0.2446 0.5147
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0177 0.0371
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0047 0.2643
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0089 0.0159
Echinococcus multilocularis neurogenic locus protein delta 0.0025 0.0044 0.0078
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0177 0.0183
Trypanosoma brucei heat shock protein, putative 0.0032 0.0094 0.5299
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Onchocerca volvulus Peroxidasin homolog 0.0078 0.0423 0.1779
Echinococcus multilocularis protein jagged 2 0.0025 0.0044 0.0078
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0031 0.0088 0.4967
Trypanosoma cruzi heat shock protein 85, putative 0.0025 0.0047 0.2643
Trypanosoma cruzi heat shock protein 90, putative 0.0032 0.0094 0.5299
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0089 0.0188
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0423 0.1945
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0177 0.0813
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Trypanosoma cruzi heat shock protein 85, putative 0.0032 0.0094 0.5299
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0087 0.0156
Leishmania major heat shock protein 83-1 0.0032 0.0094 0.5299
Echinococcus granulosus endoplasmin 0.0025 0.0047 0.0098
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0177 1
Brugia malayi Animal haem peroxidase family protein 0.0078 0.0423 0.1945
Brugia malayi EGF-like domain containing protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0163 0.0749
Brugia malayi GCC2 and GCC3 family protein 0.0025 0.0044 0.0202
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0031 0.0088 0.934
Echinococcus granulosus protein jagged 2 0.0025 0.0044 0.0092
Onchocerca volvulus Huntingtin homolog 0.012 0.0731 0.3231
Onchocerca volvulus 0.0049 0.0215 0.0806
Brugia malayi nuclear hormone receptor 0.0031 0.0089 0.0411
Brugia malayi Delta serrate ligand family protein 0.0025 0.0044 0.0202
Loa Loa (eye worm) hypothetical protein 0.0098 0.0571 0.2631
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0177 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0089 0.0159
Loa Loa (eye worm) hypothetical protein 0.0078 0.0423 0.1945
Loa Loa (eye worm) hypothetical protein 0.0025 0.0044 0.0202
Schistosoma mansoni coup transcription factor 0.0031 0.0089 0.0188
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0089 0.0213
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.101 0.7142 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0089 0.0411
Echinococcus granulosus heat shock protein 90 0.0025 0.0047 0.0098
Echinococcus granulosus neurogenic locus notch protein 0.0025 0.0044 0.0092
Onchocerca volvulus Chorion peroxidase homolog 0.0078 0.0423 0.1779
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0571 0.2631
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0042 0.2371
Loa Loa (eye worm) hypothetical protein 0.0031 0.0089 0.0411
Loa Loa (eye worm) hypothetical protein 0.0049 0.0215 0.0992
Loa Loa (eye worm) animal heme peroxidase 0.0078 0.0423 0.1945
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0087 0.0156
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0089 0.0411
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.002 0.0004 0.0239
Schistosoma mansoni hypothetical protein 0.0031 0.0087 0.0184
Echinococcus multilocularis expressed conserved protein 0.0091 0.0519 0.0925
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0025 0.0047 0.2643
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0089 0.0188
Brugia malayi Pax transcription factor protein 2 0.0238 0.1577 0.726
Mycobacterium tuberculosis Conserved protein 0.0043 0.0177 0.0247
Trichomonas vaginalis heat shock protein, putative 0.0025 0.0047 0.2643
Schistosoma mansoni hypothetical protein 0.0025 0.0044 0.0092
Schistosoma mansoni notch 0.0025 0.0044 0.0092

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 9.285 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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