Detailed information for compound 1428308

Basic information

Technical information
  • TDR Targets ID: 1428308
  • Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-propan-2-yl -1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
  • MW: 351.381 | Formula: C14H17N5O4S
  • H donors: 2 H acceptors: 5 LogP: 3.25 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1n[nH]c(n1)C(C)C
  • InChi: 1S/C14H17N5O4S/c1-8(2)13-16-14(18-17-13)24-7-12(20)15-10-5-4-9(23-3)6-11(10)19(21)22/h4-6,8H,7H2,1-3H3,(H,15,20)(H,16,17,18)
  • InChiKey: LNPYFWSNRQFUAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitro-phenyl)acetamide
  • 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitrophenyl)acetamide
  • 2-[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-2-nitro-phenyl)acetamide
  • N-(4-methoxy-2-nitro-phenyl)-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide
  • T5263311
  • ZINC06598908
  • MLS001003868
  • SMR000377663

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
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 0.011 0.1085 0.5892
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.011 0.1085 0.2604
Echinococcus granulosus neuropeptide receptor A26 0.011 0.1085 0.2604
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.011 0.1085 0.1058
Echinococcus granulosus tm gpcr rhodopsin 0.011 0.1085 0.2604
Echinococcus multilocularis G-protein coupled receptor, putative 0.011 0.1085 0.1058
Entamoeba histolytica hypothetical protein 0.0043 0.0404 0.5
Trichomonas vaginalis helicase, putative 0.0006 0.0024 0.5
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0281 0.2835 1
Echinococcus granulosus 7tm_1 domain containing protein 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni cpg binding protein 0.0028 0.0248 0.0608
Loa Loa (eye worm) TYRA-2 protein 0.011 0.1085 0.5892
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Brugia malayi Melatonin receptor type 1A 0.011 0.1085 0.5895
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0571 1
Echinococcus granulosus hypothetical protein 0.011 0.1085 0.2604
Brugia malayi GnHR receptor homolog 0.011 0.1085 0.5895
Schistosoma mansoni hypothetical protein 0.0166 0.1662 0.4073
Echinococcus multilocularis dro:myosuppressin receptor 0.011 0.1085 0.1058
Schistosoma mansoni histamine h1 receptor 0.011 0.1085 0.2659
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Loa Loa (eye worm) follicle stimulating hormone receptor 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis neuropeptides capa receptor 0.011 0.1085 0.1058
Schistosoma mansoni hypothetical protein 0.011 0.1085 0.2659
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Loa Loa (eye worm) neuropeptide F receptor 0.011 0.1085 0.5892
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Brugia malayi larval opioid receptor 0.011 0.1085 0.5895
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni amine GPCR 0.011 0.1085 0.2659
Onchocerca volvulus 0.011 0.1085 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0404 0.0375
Echinococcus granulosus biogenic amine 5HT receptor 0.011 0.1085 0.2604
Brugia malayi neuropeptide F receptor 0.011 0.1085 0.5895
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Schistosoma mansoni hypothetical protein 0.0166 0.1662 0.4073
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni cpg binding protein 0.003 0.0265 0.0648
Brugia malayi CXXC zinc finger family protein 0.0028 0.0248 0.1142
Onchocerca volvulus 0.011 0.1085 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0281 0.2835 1
Echinococcus granulosus tm gpcr rhodopsin 0.011 0.1085 0.2604
Echinococcus granulosus orexin receptor type 2 0.011 0.1085 0.2604
Brugia malayi G-protein coupled receptor 0.011 0.1085 0.5895
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Schistosoma mansoni opsin-like receptor 0.011 0.1085 0.2659
Echinococcus multilocularis dnaJ subfamily B 0.0402 0.4082 0.4064
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0281 0.2835 0.5
Echinococcus granulosus neuropeptide Y receptor 0.011 0.1085 0.2604
Echinococcus granulosus tm gpcr rhodopsin 0.011 0.1085 0.2604
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0281 0.2835 1
Echinococcus granulosus allatostatin A receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.011 0.1085 0.5892
Echinococcus granulosus dnaJ subfamily B 0.0402 0.4082 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus dro:myosuppressin receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Treponema pallidum hypothetical protein 0.0281 0.2835 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Echinococcus granulosus g protein coupled receptor 0.011 0.1085 0.2604
Schistosoma mansoni growth hormone secretagogue receptor 0.011 0.1085 0.2659
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Echinococcus granulosus neuropeptide receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni biogenic amine (5HT) receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.011 0.1085 0.1058
Schistosoma mansoni hypothetical protein 0.011 0.1085 0.2659
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.011 0.1085 0.1058
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 0.1085 0.1058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Brugia malayi Dopamine receptor protein 1 0.011 0.1085 0.5895
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0271 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0271 0.1264
Echinococcus granulosus biogenic amine 5HT receptor 0.011 0.1085 0.2604
Schistosoma mansoni amine GPCR 0.011 0.1085 0.2659
Entamoeba histolytica hypothetical protein 0.0043 0.0404 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Echinococcus granulosus 7TM GPCR rhodopsin 0.011 0.1085 0.2604
Schistosoma mansoni adenoreceptor 0.011 0.1085 0.2659
Brugia malayi G protein-coupled receptor F59B2.13 0.011 0.1085 0.5895
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Echinococcus multilocularis g-protein coupled receptor 0.011 0.1085 0.1058
Echinococcus granulosus neuropeptide receptor 0.011 0.1085 0.2604
Echinococcus multilocularis neuropeptide receptor 0.011 0.1085 0.1058
Echinococcus multilocularis neuropeptide receptor A26 0.011 0.1085 0.1058
Brugia malayi putative neuropeptide receptor NPR1 0.011 0.1085 0.5895
Echinococcus granulosus G protein coupled receptor 139 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis neuropeptide receptor 0.011 0.1085 0.1058
Echinococcus multilocularis G protein coupled receptor 139 0.011 0.1085 0.1058
Onchocerca volvulus 0.011 0.1085 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0248 0.1136
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 0.1085 0.1058
Brugia malayi RE15519p 0.011 0.1085 0.5895
Echinococcus multilocularis biogenic amine (5HT) receptor 0.011 0.1085 0.1058
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0098 0.0168
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni biogenic amine receptor 0.011 0.1085 0.2659
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Schistosoma mansoni opsin-like receptor 0.011 0.1085 0.2659
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0024 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.011 0.1085 0.5895
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0048 0.0018
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Echinococcus granulosus serotonin receptor 0.011 0.1085 0.2604
Echinococcus multilocularis neuropeptide Y receptor 0.011 0.1085 0.1058
Echinococcus multilocularis allatostatin A receptor 0.011 0.1085 0.1058
Brugia malayi sulfakinin receptor protein 0.011 0.1085 0.5895
Brugia malayi Serotonin/octopamine receptor family protein 7 0.011 0.1085 0.5895
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0571 0.1398
Echinococcus multilocularis muscleblind protein 1 0.018 0.1808 0.1783
Echinococcus multilocularis alpha 1A adrenergic receptor 0.011 0.1085 0.1058
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Echinococcus granulosus somatostatin receptor 0.011 0.1085 0.2604
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.011 0.1085 0.1058
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis fmrfamide receptor 0.011 0.1085 0.1058
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis tachykinin peptides receptor 99D 0.011 0.1085 0.1058
Schistosoma mansoni hypothetical protein 0.0014 0.0098 0.0241
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Onchocerca volvulus 0.011 0.1085 1
Echinococcus multilocularis g protein coupled receptor 0.011 0.1085 0.1058
Echinococcus multilocularis sex peptide receptor 0.011 0.1085 0.1058
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0404 0.0922
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus alpha 1A adrenergic receptor 0.011 0.1085 0.2604
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.011 0.1085 0.2604
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.011 0.1085 0.2604
Loa Loa (eye worm) G-protein coupled receptor 0.011 0.1085 0.5892
Onchocerca volvulus 0.011 0.1085 1
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.011 0.1085 0.1058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Brugia malayi Dopamine receptor protein 2 0.011 0.1085 0.5895
Schistosoma mansoni peptide (allatostatin)-like receptor 0.011 0.1085 0.2659
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.011 0.1085 0.5895
Echinococcus multilocularis geminin 0.0166 0.1662 0.1637
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0281 0.2835 1
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Brugia malayi Serotonin receptor 0.011 0.1085 0.5895
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.011 0.1085 0.5892
Schistosoma mansoni neuropeptide f receptor 76f 0.011 0.1085 0.2659
Schistosoma mansoni biogenic amine (5HT) receptor 0.011 0.1085 0.2659
Entamoeba histolytica hypothetical protein 0.0043 0.0404 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0404 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.011 0.1085 0.1058
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus neuropeptide FF receptor 2 0.011 0.1085 0.2604
Schistosoma mansoni hypothetical protein 0.0402 0.4082 1
Schistosoma mansoni alpha-1 adrenergic receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) G-protein coupled receptor 0.011 0.1085 0.5892
Echinococcus granulosus thyrotropin releasing hormone receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.011 0.1085 0.2604
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0571 0.1398
Brugia malayi follicle stimulating hormone receptor 0.011 0.1085 0.5895
Echinococcus granulosus cpg binding protein 0.003 0.0265 0.0578
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0271 0.5
Onchocerca volvulus 0.011 0.1085 1
Onchocerca volvulus Neuropeptide F receptor homolog 0.011 0.1085 1
Onchocerca volvulus 0.011 0.1085 1
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.011 0.1085 0.2604
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0507 0.7879
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.011 0.1085 0.1058
Loa Loa (eye worm) neuropeptide F receptor 0.011 0.1085 0.5892
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Echinococcus granulosus sex peptide receptor 0.011 0.1085 0.2604
Echinococcus granulosus neuropeptide s receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni amine GPCR 0.011 0.1085 0.2659
Echinococcus multilocularis fmrfamide receptor 0.011 0.1085 0.1058
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0571 0.0542
Brugia malayi Dopamine receptor 0.011 0.1085 0.5895
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0571 0.1333
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0404 0.099
Echinococcus multilocularis g protein coupled receptor 0.011 0.1085 0.1058
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis serotonin receptor 0.011 0.1085 0.1058
Brugia malayi gonadotropin-releasing hormone receptor 2 0.011 0.1085 0.5895
Schistosoma mansoni neuropeptide F-like receptor 0.011 0.1085 0.2659
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0098 0.0068
Brugia malayi hypothetical protein 0.0043 0.0404 0.2027
Echinococcus multilocularis orexin receptor type 2 0.011 0.1085 0.1058
Schistosoma mansoni neuropeptide receptor 0.011 0.1085 0.2659
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Echinococcus multilocularis neuropeptide FF receptor 2 0.011 0.1085 0.1058
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Schistosoma mansoni biogenic amine receptor 0.011 0.1085 0.2659
Echinococcus granulosus neuropeptides capa receptor 0.011 0.1085 0.2604
Onchocerca volvulus 0.011 0.1085 1
Echinococcus granulosus geminin 0.0166 0.1662 0.4028
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Echinococcus multilocularis somatostatin receptor 0.011 0.1085 0.1058
Echinococcus granulosus g protein coupled receptor 0.011 0.1085 0.2604
Echinococcus granulosus muscleblind protein 0.018 0.1808 0.4388
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.011 0.1085 0.5892
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Schistosoma mansoni neuropeptide receptor 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Brugia malayi neuropeptide F receptor 0.011 0.1085 0.5895
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0571 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.011 0.1085 0.2659
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Brugia malayi AKH receptor 0.011 0.1085 0.5895
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) melatonin receptor type 1A 0.011 0.1085 0.5892
Schistosoma mansoni amine GPCR 0.011 0.1085 0.2659
Schistosoma mansoni opsin-like receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni neuropeptide F-like receptor 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.002 0.016 0.0642
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Brugia malayi Muscleblind-like protein 0.018 0.1808 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Onchocerca volvulus 0.011 0.1085 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0573 0.1403
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.011 0.1085 0.1058
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.003 0.0271 0.127
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Onchocerca volvulus 0.011 0.1085 1
Echinococcus multilocularis serotonin receptor 0.011 0.1085 0.1058
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.018 0.1808 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Schistosoma mansoni hypothetical protein 0.011 0.1085 0.2659
Echinococcus granulosus peptide allatostatin:somatostatin 0.011 0.1085 0.2604
Onchocerca volvulus 0.011 0.1085 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.011 0.1085 0.2659
Brugia malayi G-protein coupled receptor 0.011 0.1085 0.5895
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.011 0.1085 0.2659
Schistosoma mansoni neuropeptide receptor 0.011 0.1085 0.2659
Echinococcus multilocularis cpg binding protein 0.003 0.0265 0.0235
Schistosoma mansoni hypothetical protein 0.0043 0.0404 0.099
Echinococcus granulosus neuropeptide Y receptor 0.011 0.1085 0.2604
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.011 0.1085 0.2604
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0271 0.5
Onchocerca volvulus 0.011 0.1085 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.011 0.1085 0.2659
Echinococcus granulosus g protein coupled receptor 0.011 0.1085 0.2604
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0024 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.011 0.1085 0.2659
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Schistosoma mansoni amine GPCR 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.018 0.1808 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.011 0.1085 0.1058
Schistosoma mansoni cpg binding protein 0.003 0.0265 0.0648
Echinococcus multilocularis muscleblind protein 0.018 0.1808 0.1783
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.003 0.0074
Echinococcus multilocularis rhodopsin orphan GPCR 0.011 0.1085 0.1058
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.011 0.1085 1
Onchocerca volvulus 0.011 0.1085 1
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.011 0.1085 0.5895
Schistosoma mansoni myosin xvIII 0.011 0.1085 0.2659
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0048 0.0044
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Onchocerca volvulus 0.011 0.1085 1
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.011 0.1085 0.5892
Echinococcus granulosus g-protein coupled receptor 0.011 0.1085 0.2604
Schistosoma mansoni biogenic amine receptor 0.011 0.1085 0.2659
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Brugia malayi G protein-coupled receptor 0.011 0.1085 0.5895
Onchocerca volvulus 0.011 0.1085 1
Echinococcus granulosus fmrfamide receptor 0.011 0.1085 0.2604
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Echinococcus multilocularis neuropeptide Y receptor 0.011 0.1085 0.1058
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.011 0.1085 0.2659
Echinococcus granulosus neuropeptides capa receptor 0.011 0.1085 0.2604
Schistosoma mansoni rhodopsin-like orphan GPCR 0.011 0.1085 0.2659
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0024 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0024 0.5
Schistosoma mansoni neuropeptide receptor 0.011 0.1085 0.2659
Echinococcus multilocularis neuropeptide s receptor 0.011 0.1085 0.1058
Brugia malayi Serotonin receptor 0.011 0.1085 0.5895
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Brugia malayi putative neuropeptide receptor 0.011 0.1085 0.5895
Brugia malayi ORL1-like opioid receptor 0.011 0.1085 0.5895
Loa Loa (eye worm) hypothetical protein 0.011 0.1085 0.5892
Brugia malayi Tachykinin-like peptides receptor 99D 0.011 0.1085 0.5895
Brugia malayi hypothetical protein 0.011 0.1085 0.5895
Echinococcus multilocularis neuropeptides capa receptor 0.011 0.1085 0.1058
Echinococcus multilocularis g protein coupled receptor 0.011 0.1085 0.1058
Onchocerca volvulus 0.011 0.1085 1
Echinococcus granulosus rhodopsin orphan GPCR 0.011 0.1085 0.2604
Schistosoma mansoni hypothetical protein 0.011 0.1085 0.2659
Onchocerca volvulus 0.011 0.1085 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6679 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

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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