Detailed information for compound 1409766

Basic information

Technical information
  • TDR Targets ID: 1409766
  • Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (2S)- 2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutan oate
  • MW: 458.461 | Formula: C23H26N2O8
  • H donors: 1 H acceptors: 5 LogP: 4.03 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)C(=O)N[C@H](C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)C(C)C
  • InChi: 1S/C23H26N2O8/c1-13(2)21(24-22(27)16-8-17(31-4)11-18(9-16)32-5)23(28)33-12-20(26)15-7-6-14(3)19(10-15)25(29)30/h6-11,13,21H,12H2,1-5H3,(H,24,27)/t21-/m0/s1
  • InChiKey: BDEYGGYVEKTISM-NRFANRHFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate
  • (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester
  • (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester
  • [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate
  • T5368672

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.009 0.0218 0.5
Schistosoma mansoni amine GPCR 0.009 0.0218 0.0218
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni hypothetical protein 0.009 0.0218 0.0218
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus fmrfamide receptor 0.009 0.0218 0.1182
Brugia malayi follicle stimulating hormone receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0069 0.0088 0.047
Echinococcus granulosus 7TM GPCR rhodopsin 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptides capa receptor 0.009 0.0218 0.1182
Schistosoma mansoni neuropeptide receptor 0.009 0.0218 0.0218
Echinococcus granulosus somatostatin receptor 0.009 0.0218 0.1182
Echinococcus granulosus peptide allatostatin:somatostatin 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus multilocularis fmrfamide receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) TYRA-2 protein 0.009 0.0218 0.1182
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.009 0.0218 0.1182
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.009 0.0218 0.1182
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0069 0.0088 0.047
Brugia malayi Cyclic-nucleotide gated cation channel 0.0069 0.0088 0.047
Schistosoma mansoni growth hormone secretagogue receptor 0.009 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi G protein-coupled receptor 0.009 0.0218 0.1182
Brugia malayi Serotonin receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0349 0.1835 1
Brugia malayi putative neuropeptide receptor 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Echinococcus granulosus neuropeptide receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) neuropeptide F receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.009 0.0218 0.1182
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0069 0.0088 0.047
Echinococcus granulosus g protein coupled receptor 0.009 0.0218 0.1182
Echinococcus multilocularis tachykinin peptides receptor 99D 0.009 0.0218 0.1182
Schistosoma mansoni biogenic amine (5HT) receptor 0.009 0.0218 0.0218
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus granulosus g protein coupled receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni histamine h1 receptor 0.009 0.0218 0.0218
Schistosoma mansoni neuropeptide receptor 0.009 0.0218 0.0218
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.009 0.0218 0.1182
Schistosoma mansoni opsin-like receptor 0.009 0.0218 0.0218
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) G-protein coupled receptor 0.009 0.0218 0.1182
Echinococcus multilocularis fmrfamide receptor 0.009 0.0218 0.1182
Echinococcus granulosus allatostatin A receptor 0.009 0.0218 0.1182
Schistosoma mansoni voltage-gated potassium channel 0.0381 0.2035 0.2035
Schistosoma mansoni hypothetical protein 0.009 0.0218 0.0218
Brugia malayi Dopamine receptor protein 1 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.009 0.0218 0.0218
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.0288 0.0288
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus biogenic amine 5HT receptor 0.009 0.0218 0.1182
Echinococcus multilocularis G-protein coupled receptor, putative 0.009 0.0218 0.1182
Echinococcus granulosus neuropeptides capa receptor 0.009 0.0218 0.1182
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.009 0.0218 0.1182
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.009 0.0218 0.1182
Brugia malayi neuropeptide F receptor 0.009 0.0218 0.1182
Echinococcus multilocularis allatostatin A receptor 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0101 0.0288 0.1562
Brugia malayi G-protein coupled receptor 0.009 0.0218 0.1182
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0001 0.0001
Schistosoma mansoni amine GPCR 0.009 0.0218 0.0218
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.009 0.0218 0.1182
Echinococcus granulosus neuropeptide Y receptor 0.009 0.0218 0.1182
Echinococcus multilocularis dro:myosuppressin receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.009 0.0218 0.0218
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.009 0.0218 0.0218
Brugia malayi gonadotropin-releasing hormone receptor 2 0.009 0.0218 0.1182
Schistosoma mansoni opsin-like receptor 0.009 0.0218 0.0218
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0326 0.1692 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Schistosoma mansoni voltage-gated potassium channel 0.0069 0.0088 0.0088
Schistosoma mansoni biogenic amine (dopamine) receptor 0.009 0.0218 0.0218
Loa Loa (eye worm) G-protein coupled receptor 0.009 0.0218 0.1182
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.009 0.0218 0.0218
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Brugia malayi sulfakinin receptor protein 0.009 0.0218 0.1182
Echinococcus granulosus hyperpolarization activated cyclic 0.0069 0.0088 0.047
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0349 0.1835 1
Echinococcus granulosus neuropeptide FF receptor 2 0.009 0.0218 0.1182
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.009 0.0218 0.0218
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0069 0.0088 0.0088
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus multilocularis g protein coupled receptor 0.009 0.0218 0.1182
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0069 0.0088 0.047
Schistosoma mansoni biogenic amine receptor 0.009 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni hypothetical protein 0.009 0.0218 0.0218
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptide Y receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) follicle stimulating hormone receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0069 0.0088 0.047
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.009 0.0218 0.1182
Echinococcus multilocularis sex peptide receptor 0.009 0.0218 0.1182
Echinococcus multilocularis g protein coupled receptor 0.009 0.0218 0.1182
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi G-protein coupled receptor 0.009 0.0218 0.1182
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni neuropeptide receptor 0.009 0.0218 0.0218
Onchocerca volvulus 0.009 0.0218 0.5
Brugia malayi larval opioid receptor 0.009 0.0218 0.1182
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.009 0.0218 0.1182
Echinococcus multilocularis voltage gated potassium channel 0.0101 0.0288 0.1562
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi putative neuropeptide receptor NPR1 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Mycobacterium tuberculosis Possible exported protein 0.1176 0.6998 0.5
Onchocerca volvulus 0.009 0.0218 0.5
Schistosoma mansoni biogenic amine receptor 0.009 0.0218 0.0218
Echinococcus multilocularis neuropeptide s receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0556 0.3027
Brugia malayi Serotonin receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus tm gpcr rhodopsin 0.009 0.0218 0.1182
Schistosoma mansoni biogenic amine receptor 0.009 0.0218 0.0218
Echinococcus multilocularis orexin receptor type 2 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptide receptor 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus granulosus neuropeptide receptor A26 0.009 0.0218 0.1182
Echinococcus multilocularis G protein coupled receptor 139 0.009 0.0218 0.1182
Brugia malayi Melatonin receptor type 1A 0.009 0.0218 0.1182
Echinococcus granulosus 7tm_1 domain containing protein 0.009 0.0218 0.1182
Echinococcus multilocularis hyperpolarization activated cyclic 0.0069 0.0088 0.047
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) neuropeptide F receptor 0.009 0.0218 0.1182
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0069 0.0088 0.047
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.009 0.0218 0.1182
Echinococcus granulosus thyrotropin releasing hormone receptor 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Schistosoma mansoni neuropeptide F-like receptor 0.009 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.009 0.0218 0.0218
Onchocerca volvulus 0.009 0.0218 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus granulosus g-protein coupled receptor 0.009 0.0218 0.1182
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0349 0.1835 1
Brugia malayi AKH receptor 0.009 0.0218 0.1182
Schistosoma mansoni myosin xvIII 0.009 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.0069 0.0088 0.047
Onchocerca volvulus 0.009 0.0218 0.5
Onchocerca volvulus 0.009 0.0218 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0001 0.0001
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.009 0.0218 0.0218
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0326 0.1692 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.009 0.0218 0.1182
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Schistosoma mansoni neuropeptide F-like receptor 0.009 0.0218 0.0218
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus sex peptide receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus G protein coupled receptor 139 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus neuropeptides capa receptor 0.009 0.0218 0.1182
Schistosoma mansoni biogenic amine (dopamine) receptor 0.009 0.0218 0.0218
Brugia malayi neuropeptide F receptor 0.009 0.0218 0.1182
Echinococcus multilocularis hyperpolarization activated cyclic 0.0069 0.0088 0.047
Brugia malayi Tachykinin-like peptides receptor 99D 0.009 0.0218 0.1182
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.009 0.0218 0.1182
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.009 0.0218 0.1182
Echinococcus granulosus tm gpcr rhodopsin 0.009 0.0218 0.1182
Schistosoma mansoni hypothetical protein 0.009 0.0218 0.0218
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0069 0.0088 0.0088
Schistosoma mansoni biogenic amine (dopamine) receptor 0.009 0.0218 0.0218
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Echinococcus granulosus neuropeptide s receptor 0.009 0.0218 0.1182
Echinococcus multilocularis serotonin receptor 0.009 0.0218 0.1182
Echinococcus granulosus hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus serotonin receptor 0.009 0.0218 0.1182
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptide FF receptor 2 0.009 0.0218 0.1182
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.009 0.0218 0.0218
Echinococcus multilocularis neuropeptides capa receptor 0.009 0.0218 0.1182
Echinococcus multilocularis somatostatin receptor 0.009 0.0218 0.1182
Echinococcus granulosus neuropeptide Y receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis serotonin receptor 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus neuropeptide receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi G protein-coupled receptor F59B2.13 0.009 0.0218 0.1182
Schistosoma mansoni neuropeptide receptor 0.009 0.0218 0.0218
Onchocerca volvulus 0.009 0.0218 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.009 0.0218 0.1182
Schistosoma mansoni adenoreceptor 0.009 0.0218 0.0218
Echinococcus granulosus alpha 1A adrenergic receptor 0.009 0.0218 0.1182
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.009 0.0218 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.009 0.0218 0.1182
Schistosoma mansoni neuropeptide f receptor 76f 0.009 0.0218 0.0218
Schistosoma mansoni amine GPCR 0.009 0.0218 0.0218
Onchocerca volvulus 0.009 0.0218 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.009 0.0218 0.1182
Brugia malayi GnHR receptor homolog 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0349 0.1835 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.009 0.0218 0.0218
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Brugia malayi ORL1-like opioid receptor 0.009 0.0218 0.1182
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus granulosus hyperpolarization activated cyclic 0.0069 0.0088 0.047
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0088 0.0088
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.009 0.0218 0.0218
Brugia malayi Dopamine receptor protein 2 0.009 0.0218 0.1182
Loa Loa (eye worm) melatonin receptor type 1A 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.0303 0.1547 0.8431
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0069 0.0088 0.047
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptide receptor 0.009 0.0218 0.1182
Schistosoma mansoni amine GPCR 0.009 0.0218 0.0218
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0069 0.0088 0.047
Brugia malayi RE15519p 0.009 0.0218 0.1182
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0069 0.0088 0.047
Schistosoma mansoni voltage-gated potassium channel 0.0381 0.2035 0.2035
Echinococcus granulosus biogenic amine 5HT receptor 0.009 0.0218 0.1182
Echinococcus granulosus g protein coupled receptor 0.009 0.0218 0.1182
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Echinococcus granulosus voltage gated potassium channel 0.0101 0.0288 0.1562
Onchocerca volvulus Neuropeptide F receptor homolog 0.009 0.0218 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0088 0.0088
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0101 0.0288 0.1562
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni opsin-like receptor 0.009 0.0218 0.0218
Schistosoma mansoni rhodopsin-like orphan GPCR 0.009 0.0218 0.0218
Echinococcus granulosus orexin receptor type 2 0.009 0.0218 0.1182
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0101 0.0288 0.1562
Echinococcus multilocularis alpha 1A adrenergic receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.009 0.0218 0.1182
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.009 0.0218 0.0218
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis neuropeptide receptor A26 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Echinococcus multilocularis g protein coupled receptor 0.009 0.0218 0.1182
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0101 0.0288 0.1562
Echinococcus multilocularis biogenic amine (5HT) receptor 0.009 0.0218 0.1182
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Echinococcus granulosus rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.009 0.0218 0.1182
Brugia malayi Dopamine receptor 0.009 0.0218 0.1182
Onchocerca volvulus 0.009 0.0218 0.5
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0556 0.3027
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni peptide (allatostatin)-like receptor 0.009 0.0218 0.0218
Brugia malayi hypothetical protein 0.009 0.0218 0.1182
Brugia malayi MH2 domain containing protein 0.0144 0.0556 0.3027
Echinococcus multilocularis rhodopsin orphan GPCR 0.009 0.0218 0.1182
Echinococcus multilocularis g-protein coupled receptor 0.009 0.0218 0.1182
Loa Loa (eye worm) hypothetical protein 0.009 0.0218 0.1182
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.0288 0.0288
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.009 0.0218 0.1182
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0069 0.0088 0.0088

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 42.81 uM PUBCHEM_BIOASSAY: TES1 - eGFP vs TES2 -dsRED Pathway Differentiation Measured in Cell-Based System Using Imaging - 2122-04_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504586] ChEMBL. No reference
EC50 (functional) > 40 uM PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzyme, beta-galactosidase - Set 2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1966, AID2569] ChEMBL. No reference
IC50 (functional) > 40 um PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Receptor Type 1 to assess selectivity of uHTS small molecule antagonists hits of the APJ receptor. (Class of assay: confirmatory) [Related pubchem assays: 2569, 2521 ] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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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