Detailed information for compound 1414129

Basic information

Technical information
  • TDR Targets ID: 1414129
  • Name: 1-[2-[2-(2-methylphenoxy)ethoxy]ethyl]azepane ; oxalic acid
  • MW: 367.437 | Formula: C19H29NO6
  • H donors: 2 H acceptors: 4 LogP: 0.82 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.Cc1ccccc1OCCOCCN1CCCCCC1
  • InChi: 1S/C17H27NO2.C2H2O4/c1-16-8-4-5-9-17(16)20-15-14-19-13-12-18-10-6-2-3-7-11-18;3-1(4)2(5)6/h4-5,8-9H,2-3,6-7,10-15H2,1H3;(H,3,4)(H,5,6)
  • InChiKey: QCIFBIOONBUODO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ethanedioic acid; 1-[2-[2-(2-methylphenoxy)ethoxy]ethyl]azepane
  • T5772850
  • 1-{2-[2-(2-methylphenoxy)ethoxy]ethyl}azepane oxalate
  • MLS000662309
  • SMR000292836

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni hypothetical protein 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0047 0.0911 0.0911
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 1 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0047 0.0911 0.0911
Schistosoma mansoni hypothetical protein 0.0047 0.0911 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.679 0.6468
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus sex peptide receptor 0.0047 0.0911 0.5
Echinococcus multilocularis neuropeptide receptor 0.0047 0.0911 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0047 0.0911 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0047 0.0911 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) G-protein coupled receptor 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) melatonin receptor type 1A 0.0047 0.0911 0.0911
Echinococcus multilocularis orexin receptor type 2 0.0047 0.0911 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni hypothetical protein 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus granulosus tachykinin peptides receptor 99D 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Trypanosoma cruzi cytochrome P450, putative 0.0067 1 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Schistosoma mansoni neuropeptide F-like receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni histamine h1 receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus g protein coupled receptor 0.0047 0.0911 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0047 0.0911 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.0911 0.5
Trypanosoma brucei cytochrome P450, putative 0.0067 1 0.5
Echinococcus granulosus alpha 1A adrenergic receptor 0.0047 0.0911 0.5
Echinococcus granulosus g protein coupled receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Brugia malayi Cytochrome P450 family protein 0.0067 1 1
Echinococcus multilocularis neuropeptides capa receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Schistosoma mansoni hypothetical protein 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni amine GPCR 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni adenoreceptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.679 0.6468
Echinococcus granulosus G protein coupled receptor 139 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Echinococcus multilocularis fmrfamide receptor 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide s receptor 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine receptor 0.0047 0.0911 0.5
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0047 0.0911 0.5
Onchocerca volvulus Neuropeptide F receptor homolog 0.0047 0.0911 0.5
Echinococcus multilocularis g protein coupled receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) cytochrome P450 family protein 0.0067 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.0911 0.5
Echinococcus granulosus allatostatin A receptor 0.0047 0.0911 0.5
Schistosoma mansoni neuropeptide receptor 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0047 0.0911 0.5
Echinococcus granulosus g protein coupled receptor 0.0047 0.0911 0.5
Schistosoma mansoni amine GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis dro:myosuppressin receptor 0.0047 0.0911 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0047 0.0911 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) G-protein coupled receptor 0.0047 0.0911 0.0911
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0067 1 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0047 0.0911 0.0911
Echinococcus multilocularis neuropeptide receptor 0.0047 0.0911 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus somatostatin receptor 0.0047 0.0911 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0047 0.0911 0.5
Schistosoma mansoni growth hormone secretagogue receptor 0.0047 0.0911 0.5
Schistosoma mansoni opsin-like receptor 0.0047 0.0911 0.5
Schistosoma mansoni alpha-1 adrenergic receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Echinococcus multilocularis G protein coupled receptor 139 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.006 0.679 0.679
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0047 0.0911 0.5
Schistosoma mansoni myosin xvIII 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.0911 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0047 0.0911 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide FF receptor 2 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Echinococcus granulosus g-protein coupled receptor 0.0047 0.0911 0.5
Echinococcus granulosus fmrfamide receptor 0.0047 0.0911 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni neuropeptide receptor 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine receptor 0.0047 0.0911 0.5
Schistosoma mansoni amine GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0047 0.0911 0.0911
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Leishmania major cytochrome p450-like protein 0.0067 1 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0047 0.0911 0.5
Echinococcus multilocularis somatostatin receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni opsin-like receptor 0.0047 0.0911 0.5
Schistosoma mansoni amine GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni neuropeptide f receptor 76f 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis g protein coupled receptor 0.0047 0.0911 0.5
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0047 0.0911 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0047 0.0911 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0047 0.0911 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis neuropeptide Y receptor 0.0047 0.0911 0.5
Echinococcus multilocularis serotonin receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus neuropeptides capa receptor 0.0047 0.0911 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0047 0.0911 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0047 0.0911 0.0911
Echinococcus multilocularis neuropeptide FF receptor 2 0.0047 0.0911 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0047 0.0911 0.5
Echinococcus granulosus neuropeptide receptor 0.0047 0.0911 0.5
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis serotonin receptor 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Echinococcus granulosus serotonin receptor 0.0047 0.0911 0.5
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0047 0.0911 0.0911
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0047 0.0911 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0047 0.0911 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.679 0.679
Loa Loa (eye worm) CYP4Cod1 0.0067 1 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0047 0.0911 0.5
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0047 0.0911 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0047 0.0911 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0047 0.0911 0.5
Schistosoma mansoni neuropeptide receptor 0.0047 0.0911 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0047 0.0911 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0047 0.0911 0.0911
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus peptide allatostatin:somatostatin 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0047 0.0911 0.5
Echinococcus multilocularis g protein coupled receptor 0.0047 0.0911 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine receptor 0.0047 0.0911 0.5
Schistosoma mansoni opsin-like receptor 0.0047 0.0911 0.5
Schistosoma mansoni amine GPCR 0.0047 0.0911 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0047 0.0911 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus neuropeptide receptor A26 0.0047 0.0911 0.5
Echinococcus granulosus orexin receptor type 2 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Echinococcus multilocularis allatostatin A receptor 0.0047 0.0911 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0047 0.0911 0.5
Schistosoma mansoni neuropeptide receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0047 0.0911 0.5
Echinococcus multilocularis sex peptide receptor 0.0047 0.0911 0.5
Echinococcus multilocularis fmrfamide receptor 0.0047 0.0911 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0067 1 0.5
Echinococcus granulosus biogenic amine 5HT receptor 0.0047 0.0911 0.5
Onchocerca volvulus 0.0047 0.0911 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0911 0.0911
Echinococcus granulosus hypothetical protein 0.0047 0.0911 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0047 0.0911 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.5113 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 25.1189 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 50.1187 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

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.
 
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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