Detailed information for compound 1323958

Basic information

Technical information
  • TDR Targets ID: 1323958
  • Name: N-[(4-acetamidophenyl)carbamothioyl]-4-tert-b utylbenzamide
  • MW: 369.481 | Formula: C20H23N3O2S
  • H donors: 3 H acceptors: 2 LogP: 4.37 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)NC(=S)NC(=O)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C20H23N3O2S/c1-13(24)21-16-9-11-17(12-10-16)22-19(26)23-18(25)14-5-7-15(8-6-14)20(2,3)4/h5-12H,1-4H3,(H,21,24)(H2,22,23,25,26)
  • InChiKey: WOWJIWFCOPZFGV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-acetamidophenyl)carbamothioyl]-4-tert-butyl-benzamide
  • N-[[(4-acetamidophenyl)amino]-thioxomethyl]-4-tert-butylbenzamide
  • N-[(4-acetamidophenyl)thiocarbamoyl]-4-tert-butyl-benzamide
  • STK077754
  • ARONIS003419
  • ZINC00674444
  • Oprea1_317255

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Peripheral myelin protein 22 Starlite/ChEMBL No references
Homo sapiens androgen receptor Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein Peripheral myelin protein 22   160 aa 129 aa 25.6 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni biogenic amine receptor 0.0027 0.0153 0.0133
Echinococcus granulosus neuropeptide receptor A26 0.0027 0.0153 0.0133
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0666 1 1
Echinococcus granulosus allatostatin A receptor 0.0027 0.0153 0.0133
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Leishmania major prostaglandin f synthase, putative 0.0019 0.002 0.002
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.002
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0059 0.0039
Echinococcus granulosus fmrfamide receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Brugia malayi Tachykinin-like peptides receptor 99D 0.0027 0.0153 0.0153
Leishmania major aldo-keto reductase-like protein 0.0019 0.002 0.002
Schistosoma mansoni hypothetical protein 0.0062 0.0693 0.0674
Echinococcus granulosus tachykinin peptides receptor 99D 0.0027 0.0153 0.0133
Giardia lamblia Aldose reductase 0.0019 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0027 0.0153 0.0153
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0027 0.0153 0.0133
Schistosoma mansoni neuropeptide F-like receptor 0.0027 0.0153 0.0133
Brugia malayi G protein-coupled receptor F59B2.13 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0021 0.0059 0.2921
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0059 0.0039
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0027 0.0153 0.0153
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0027 0.0153 0.0133
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Echinococcus granulosus neuropeptide s receptor 0.0027 0.0153 0.0133
Brugia malayi AKH receptor 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.002 0.5
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0019 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0059 0.0059
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0059 0.0039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0059 0.0039
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis neuropeptide s receptor 0.0027 0.0153 0.0133
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0248 0.3549 0.3549
Brugia malayi putative neuropeptide receptor NPR1 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0059 0.0059
Echinococcus granulosus neuropeptide Y receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Toxoplasma gondii sedoheptulose-1,7-bisphosphatase 0.0248 0.3549 0.3549
Schistosoma mansoni opsin-like receptor 0.0027 0.0153 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0027 0.0153 0.0153
Mycobacterium ulcerans oxidoreductase 0.0019 0.002 0.5
Brugia malayi sulfakinin receptor protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0027 0.0153 0.0153
Echinococcus multilocularis neuropeptide Y receptor 0.0027 0.0153 0.0133
Trypanosoma brucei aldo-keto reductase, putative 0.0019 0.002 0.002
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.002
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi ORL1-like opioid receptor 0.0027 0.0153 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0059 0.0039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0.0059 0.2921
Schistosoma mansoni neuropeptide receptor 0.0027 0.0153 0.0133
Brugia malayi steroid hormone receptor 0.0021 0.0059 0.0059
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0027 0.0153 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0059 0.0059
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Echinococcus granulosus G protein coupled receptor 139 0.0027 0.0153 0.0133
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0059 0.0039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis serotonin receptor 0.0027 0.0153 0.0133
Schistosoma mansoni hypothetical protein 0.0024 0.0095 0.0076
Mycobacterium tuberculosis Probable oxidoreductase 0.0019 0.002 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis neuropeptide receptor A26 0.0027 0.0153 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0027 0.0153 0.0133
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0059 0.0039
Onchocerca volvulus 0.0027 0.0153 1
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi follicle stimulating hormone receptor 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus biogenic amine 5HT receptor 0.0027 0.0153 0.0133
Onchocerca volvulus 0.0027 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0059 0.0059
Echinococcus granulosus g protein coupled receptor 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0027 0.0153 0.0133
Loa Loa (eye worm) melatonin receptor type 1A 0.0027 0.0153 0.0153
Brugia malayi putative neuropeptide receptor 0.0027 0.0153 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi ecdysteroid receptor 0.0021 0.0059 0.0059
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0059 0.0059
Echinococcus multilocularis g-protein coupled receptor 0.0027 0.0153 0.0133
Brugia malayi GnHR receptor homolog 0.0027 0.0153 0.0153
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni biogenic amine (5HT) receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni myosin xvIII 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.002 0.5
Schistosoma mansoni amine GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis neuropeptide Y receptor 0.0027 0.0153 0.0133
Schistosoma mansoni neuropeptide receptor 0.0027 0.0153 0.0133
Echinococcus granulosus sex peptide receptor 0.0027 0.0153 0.0133
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0059 0.0039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.0153 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0059 0.0059
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0059 0.0059
Brugia malayi neuropeptide F receptor 0.0027 0.0153 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Trypanosoma cruzi sedoheptulose-1,7-bisphosphatase, putative 0.0248 0.3549 0.3549
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0027 0.0153 0.0153
Echinococcus multilocularis g protein coupled receptor 0.0027 0.0153 0.0133
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0035 0.0265 0.0265
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0666 1 1
Schistosoma mansoni hypothetical protein 0.0027 0.0153 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0059 0.0059
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0024 0.0095 0.0095
Brugia malayi latrophilin 2 splice variant baaae 0.0024 0.0095 0.0095
Echinococcus multilocularis somatostatin receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0067 0.0759 0.0759
Plasmodium falciparum ataxin-2 like protein, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0059 0.0039
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0059 0.0039
Brugia malayi G protein-coupled receptor 0.0027 0.0153 0.0153
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0059 0.0039
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0059 0.0039
Echinococcus granulosus hypothetical protein 0.0027 0.0153 0.0133
Echinococcus granulosus peptide allatostatin:somatostatin 0.0027 0.0153 0.0133
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0059 0.0039
Schistosoma mansoni biogenic amine receptor 0.0027 0.0153 0.0133
Echinococcus granulosus neuropeptide FF receptor 2 0.0027 0.0153 0.0133
Brugia malayi larval opioid receptor 0.0027 0.0153 0.0153
Echinococcus multilocularis G-protein coupled receptor, putative 0.0027 0.0153 0.0133
Entamoeba histolytica aldose reductase, putative 0.0019 0.002 0.5
Echinococcus multilocularis allatostatin A receptor 0.0027 0.0153 0.0133
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Brugia malayi nuclear hormone receptor 0.0021 0.0059 0.0059
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Entamoeba histolytica aldose reductase, putative 0.0019 0.002 0.5
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Brugia malayi nuclear receptor NHR-88 0.0021 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0027 0.0153 0.0133
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0059 0.0039
Brugia malayi G-protein coupled receptor 0.0027 0.0153 0.0153
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis G protein coupled receptor 139 0.0027 0.0153 0.0133
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0059 0.0039
Trypanosoma cruzi aldo/keto reductase, putative 0.0019 0.002 0.002
Brugia malayi Melatonin receptor type 1A 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0.0059 0.2921
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.002 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0027 0.0153 0.0133
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Loa Loa (eye worm) G-protein coupled receptor 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni coup transcription factor 0.0021 0.0059 0.0039
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0027 0.0153 0.0133
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0059 0.0039
Schistosoma mansoni neuropeptide F-like receptor 0.0027 0.0153 0.0133
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0265 0.0265
Trichomonas vaginalis aldo/keto reductase, putative 0.0019 0.002 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni amine GPCR 0.0027 0.0153 0.0133
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis dro:myosuppressin receptor 0.0027 0.0153 0.0133
Brugia malayi Serotonin receptor 0.0027 0.0153 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0027 0.0153 0.0133
Echinococcus multilocularis orexin receptor type 2 0.0027 0.0153 0.0133
Brugia malayi hypothetical protein 0.0158 0.2161 0.2161
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0027 0.0153 0.0153
Brugia malayi Dopamine receptor protein 2 0.0027 0.0153 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Onchocerca volvulus 0.0027 0.0153 1
Echinococcus granulosus 7tm_1 domain containing protein 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Trypanosoma brucei prostaglandin f synthase 0.0019 0.002 0.002
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0059 0.0039
Schistosoma mansoni adenoreceptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0059 0.0059
Echinococcus multilocularis neuropeptide receptor 0.0027 0.0153 0.0133
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.0153 0.0133
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0666 1 1
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.0153 0.0133
Echinococcus granulosus somatostatin receptor 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Brugia malayi Serotonin receptor 0.0027 0.0153 0.0153
Plasmodium falciparum ataxin-2 like protein, putative 0.0018 0 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus g-protein coupled receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0059 0.0059
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0666 1 1
Brugia malayi RE15519p 0.0027 0.0153 0.0153
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0027 0.0153 0.0133
Onchocerca volvulus Bile acid receptor homolog 0.0021 0.0059 0.2921
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0019 0.002 0.002
Brugia malayi Dopamine receptor protein 1 0.0027 0.0153 0.0153
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0027 0.0153 0.0133
Echinococcus multilocularis neuropeptide FF receptor 2 0.0027 0.0153 0.0133
Echinococcus granulosus biogenic amine 5HT receptor 0.0027 0.0153 0.0133
Giardia lamblia Aldose reductase 0.0019 0.002 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0027 0.0153 0.0133
Schistosoma mansoni opsin-like receptor 0.0027 0.0153 0.0133
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0059 0.0039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Onchocerca volvulus 0.0027 0.0153 1
Echinococcus granulosus neuropeptides capa receptor 0.0027 0.0153 0.0133
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0059 0.0059
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0027 0.0153 0.0133
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0059 0.0039
Echinococcus multilocularis g protein coupled receptor 0.0027 0.0153 0.0133
Entamoeba histolytica aldose reductase, putative 0.0019 0.002 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Toxoplasma gondii aldose reductase, putative 0.0019 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni neuropeptide f receptor 76f 0.0027 0.0153 0.0133
Echinococcus granulosus neuropeptide receptor 0.0027 0.0153 0.0133
Schistosoma mansoni biogenic amine receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis sex peptide receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0059 0.0059
Onchocerca volvulus Neuropeptide F receptor homolog 0.0027 0.0153 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0059 0.0039
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni biogenic amine (5HT) receptor 0.0027 0.0153 0.0133
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.002 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0027 0.0153 0.0153
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi G-protein coupled receptor 0.0027 0.0153 0.0153
Echinococcus granulosus orexin receptor type 2 0.0027 0.0153 0.0133
Leishmania major 0.0666 1 1
Schistosoma mansoni neuropeptide receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) G-protein coupled receptor 0.0027 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0059 0.0059
Trypanosoma brucei sedoheptulose-1,7-bisphosphatase 0.0248 0.3549 0.3549
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0059 0.0039
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0027 0.0153 0.0133
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Toxoplasma gondii fructose-bisphospatase I 0.0248 0.3549 0.3549
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0027 0.0153 0.0153
Loa Loa (eye worm) TYRA-2 protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.002
Echinococcus granulosus neuropeptides capa receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0059 0.0059
Echinococcus multilocularis g protein coupled receptor 0.0027 0.0153 0.0133
Echinococcus granulosus alpha 1A adrenergic receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0059 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0059 0.0059
Onchocerca volvulus 0.0027 0.0153 1
Onchocerca volvulus 0.0027 0.0153 1
Schistosoma mansoni amine GPCR 0.0027 0.0153 0.0133
Onchocerca volvulus 0.0027 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0027 0.0153 0.0153
Echinococcus granulosus neuropeptide receptor 0.0027 0.0153 0.0133
Echinococcus granulosus g protein coupled receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0059 0.0059
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0027 0.0153 0.0133
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0027 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi Dopamine receptor 0.0027 0.0153 0.0153
Echinococcus multilocularis serotonin receptor 0.0027 0.0153 0.0133
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0027 0.0153 0.0153
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0027 0.0153 0.0133
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0019 0.002 0.002
Schistosoma mansoni alpha-1 adrenergic receptor 0.0027 0.0153 0.0133
Echinococcus granulosus serotonin receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis fmrfamide receptor 0.0027 0.0153 0.0133
Onchocerca volvulus 0.0027 0.0153 1
Toxoplasma gondii fructose-bisphospatase II 0.0666 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0059 0.0059
Plasmodium vivax ataxin-2 like protein, putative 0.0018 0 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0027 0.0153 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0059 0.0059
Schistosoma mansoni amine GPCR 0.0027 0.0153 0.0133
Echinococcus multilocularis neuropeptides capa receptor 0.0027 0.0153 0.0133
Schistosoma mansoni hypothetical protein 0.0027 0.0153 0.0133
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0019 0.002 0.5
Schistosoma mansoni opsin-like receptor 0.0027 0.0153 0.0133
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus multilocularis neuropeptide receptor 0.0027 0.0153 0.0133
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0027 0.0153 0.0133
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus g protein coupled receptor 0.0027 0.0153 0.0133
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0059 0.0059
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0027 0.0153 0.0133
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0027 0.0153 0.0153
Echinococcus granulosus dro:myosuppressin receptor 0.0027 0.0153 0.0133
Trypanosoma cruzi aldo-keto reductase 0.0019 0.002 0.002
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0059 0.0039
Echinococcus granulosus tm gpcr rhodopsin 0.0027 0.0153 0.0133
Loa Loa (eye worm) oxidoreductase 0.0019 0.002 0.002
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0027 0.0153 0.0133
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0059 0.0039
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.0153 0.0133
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0027 0.0153 0.0133
Schistosoma mansoni histamine h1 receptor 0.0027 0.0153 0.0133
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0059 0.0039
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0059 0.0039
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0059 0.0039
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Schistosoma mansoni amine GPCR 0.0027 0.0153 0.0133
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0035 0.0265 0.0265
Echinococcus multilocularis rhodopsin orphan GPCR 0.0027 0.0153 0.0133
Onchocerca volvulus 0.0027 0.0153 1
Onchocerca volvulus 0.0027 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0035 0.0265 0.0265
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0059 0.0039
Schistosoma mansoni hypothetical protein 0.0027 0.0153 0.0133
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0666 1 1
Onchocerca volvulus 0.0027 0.0153 1
Schistosoma mansoni neuropeptide receptor 0.0027 0.0153 0.0133
Brugia malayi neuropeptide F receptor 0.0027 0.0153 0.0153
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0059 0.0039
Trichomonas vaginalis aldo-keto reductase, putative 0.0019 0.002 0.5
Echinococcus multilocularis fmrfamide receptor 0.0027 0.0153 0.0133
Brugia malayi hypothetical protein 0.0027 0.0153 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0059 0.0059
Schistosoma mansoni growth hormone secretagogue receptor 0.0027 0.0153 0.0133
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0059 0.0039
Echinococcus multilocularis neuropeptides capa receptor 0.0027 0.0153 0.0133
Onchocerca volvulus 0.0027 0.0153 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0059 0.0059

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of recombinant human SitT2 by Fluor de Lys fluorescence assay ChEMBL. 22304848
IC50 (binding) Inhibition of recombinant human SitT1 by Fluor de Lys fluorescence assay ChEMBL. 22304848
Inhibition (binding) Inhibition of SirT1 assessed as increase in p53 expression in human MCF7 cells at 5 uM after 6 hrs by Western blotting ChEMBL. 22304848
Inhibition (binding) Inhibition of recombinant human SitT2 at 60 uM by Fluor de Lys fluorescence assay ChEMBL. 22304848
Inhibition (binding) Inhibition of SirT1 assessed as increase in p53 expression in human MCF7 cells at 10 uM after 6 hrs by Western blotting ChEMBL. 22304848
Inhibition (binding) Inhibition of recombinant human SitT1 at 60 uM by Fluor de Lys fluorescence assay ChEMBL. 22304848
Inhibition (binding) Inhibition of SirT1 assessed as increase in p53 expression in human MCF7 cells at 2 uM after 6 hrs by Western blotting ChEMBL. 22304848
Potency (functional) 0.4772 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.0315 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element firefly luciferase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.7578 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9373 uM PUBCHEM_BIOASSAY: S16 Schwann cell PMP22 intronic element beta-lactamase assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.6822 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 19.0115 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) 19.0115 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of USP1/UAF1: Pilot qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504878] 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

1 literature reference was collected for this gene.

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