Detailed information for compound 279868

Basic information

Technical information
  • TDR Targets ID: 279868
  • Name: 4,6-dichloro-3-[[3-(4-fluorophenyl)-2,4-dioxo imidazolidin-1-yl]methyl]-1H-indole-2-carboxy lic acid
  • MW: 436.221 | Formula: C19H12Cl2FN3O4
  • H donors: 2 H acceptors: 4 LogP: 3.71 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)N1C(=O)CN(C1=O)Cc1c([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O
  • InChi: 1S/C19H12Cl2FN3O4/c20-9-5-13(21)16-12(17(18(27)28)23-14(16)6-9)7-24-8-15(26)25(19(24)29)11-3-1-10(22)2-4-11/h1-6,23H,7-8H2,(H,27,28)
  • InChiKey: XFECTYLSWQXLMX-UHFFFAOYSA-N  

Network

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Synonyms

  • 4,6-dichloro-3-[[3-(4-fluorophenyl)-2,4-dioxo-imidazolidin-1-yl]methyl]-1H-indole-2-carboxylic acid
  • 4,6-dichloro-3-[[3-(4-fluorophenyl)-2,4-dioxo-1-imidazolidinyl]methyl]-1H-indole-2-carboxylic acid
  • 4,6-dichloro-3-[[3-(4-fluorophenyl)-2,4-diketo-imidazolidin-1-yl]methyl]-1H-indole-2-carboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, ionotropic, N-methyl D-aspartate 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum expressed protein Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus nmda type glutamate receptor Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus multilocularis glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478
Schistosoma japonicum Glutamate [NMDA] receptor subunit zeta-1 precursor, putative Get druggable targets OG5_133478 All targets in OG5_133478
Echinococcus granulosus glutamate receptor NMDA Get druggable targets OG5_133478 All targets in OG5_133478

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 0.0038 0.0972 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0972 0.5
Brugia malayi neuropeptide F receptor 0.0038 0.0972 0.5
Echinococcus multilocularis g-protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis nmda type glutamate receptor 0.01 0.7455 0.942
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0972 0.1228
Echinococcus granulosus alpha 1A adrenergic receptor 0.0038 0.0972 0.1228
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0972 0.1228
Brugia malayi ORL1-like opioid receptor 0.0038 0.0972 0.5
Echinococcus multilocularis neuropeptide receptor A26 0.0038 0.0972 0.1228
Brugia malayi Dopamine receptor protein 1 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0972 0.1228
Brugia malayi neuropeptide F receptor 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0038 0.0972 0.5
Echinococcus multilocularis sex peptide receptor 0.0038 0.0972 0.1228
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0972 0.1228
Brugia malayi Dopamine receptor protein 2 0.0038 0.0972 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0972 0.1228
Echinococcus multilocularis glutamate receptor NMDA 0.0095 0.6972 0.881
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis dro:myosuppressin receptor 0.0038 0.0972 0.1228
Echinococcus granulosus neuropeptide FF receptor 2 0.0038 0.0972 0.1228
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Brugia malayi G-protein coupled receptor 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Brugia malayi putative neuropeptide receptor NPR1 0.0038 0.0972 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Echinococcus granulosus allatostatin A receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis orexin receptor type 2 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi Serotonin receptor 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Brugia malayi GnHR receptor homolog 0.0038 0.0972 0.5
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0038 0.0972 0.5
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Brugia malayi putative neuropeptide receptor 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0972 0.1228
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus g-protein coupled receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus dro:myosuppressin receptor 0.0038 0.0972 0.1228
Echinococcus granulosus biogenic amine 5HT receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0972 0.1228
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) melatonin receptor type 1A 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi larval opioid receptor 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0038 0.0972 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis serotonin receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0972 0.1228
Echinococcus granulosus neuropeptides capa receptor 0.0038 0.0972 0.1228
Echinococcus granulosus somatostatin receptor 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis G-protein coupled receptor, putative 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) TYRA-2 protein 0.0038 0.0972 0.5
Echinococcus multilocularis neuropeptide s receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis G protein coupled receptor 139 0.0038 0.0972 0.1228
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi G protein-coupled receptor F59B2.13 0.0038 0.0972 0.5
Loa Loa (eye worm) neuropeptide F receptor 0.0038 0.0972 0.5
Echinococcus multilocularis serotonin receptor 0.0038 0.0972 0.1228
Brugia malayi AKH receptor 0.0038 0.0972 0.5
Echinococcus granulosus neuropeptide receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus neuropeptide s receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0038 0.0972 0.1228
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0038 0.0972 0.5
Echinococcus multilocularis fmrfamide receptor 0.0038 0.0972 0.1228
Echinococcus granulosus glutamate receptor NMDA 0.0095 0.6972 0.881
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus nmda type glutamate receptor 0.01 0.7455 0.942
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0038 0.0972 0.1228
Brugia malayi G protein-coupled receptor 0.0038 0.0972 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus 7tm_1 domain containing protein 0.0038 0.0972 0.1228
Brugia malayi hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus g protein coupled receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Echinococcus granulosus nmda type glutamate receptor 0.0104 0.7914 1
Echinococcus granulosus neuropeptide receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0038 0.0972 0.1228
Echinococcus granulosus peptide allatostatin:somatostatin 0.0038 0.0972 0.1228
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0038 0.0972 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Echinococcus multilocularis nmda type glutamate receptor 0.0104 0.7914 1
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Onchocerca volvulus Neuropeptide F receptor homolog 0.0038 0.0972 0.5
Brugia malayi Serotonin receptor 0.0038 0.0972 0.5
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0972 0.1228
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0038 0.0972 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi G-protein coupled receptor 0.0038 0.0972 0.5
Echinococcus granulosus 7TM GPCR rhodopsin 0.0038 0.0972 0.1228
Echinococcus granulosus neuropeptide Y receptor 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus granulosus neuropeptide receptor A26 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis neuropeptides capa receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis somatostatin receptor 0.0038 0.0972 0.1228
Echinococcus granulosus fmrfamide receptor 0.0038 0.0972 0.1228
Brugia malayi sulfakinin receptor protein 0.0038 0.0972 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Brugia malayi follicle stimulating hormone receptor 0.0038 0.0972 0.5
Brugia malayi RE15519p 0.0038 0.0972 0.5
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus granulosus g protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus granulosus tachykinin peptides receptor 99D 0.0038 0.0972 0.1228
Echinococcus granulosus g protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis neuropeptide FF receptor 2 0.0038 0.0972 0.1228
Echinococcus granulosus hypothetical protein 0.0038 0.0972 0.1228
Echinococcus multilocularis g protein coupled receptor 0.0038 0.0972 0.1228
Echinococcus granulosus orexin receptor type 2 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis allatostatin A receptor 0.0038 0.0972 0.1228
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0038 0.0972 0.1228
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Echinococcus granulosus sex peptide receptor 0.0038 0.0972 0.1228
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus multilocularis neuropeptide receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0038 0.0972 0.5
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi Dopamine receptor 0.0038 0.0972 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Brugia malayi Melatonin receptor type 1A 0.0038 0.0972 0.5
Onchocerca volvulus 0.0038 0.0972 0.5
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus multilocularis neuropeptide Y receptor 0.0038 0.0972 0.1228
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0038 0.0972 0.1228
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0038 0.0972 0.5
Echinococcus granulosus G protein coupled receptor 139 0.0038 0.0972 0.1228
Echinococcus granulosus tm gpcr rhodopsin 0.0038 0.0972 0.1228
Echinococcus granulosus serotonin receptor 0.0038 0.0972 0.1228
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0038 0.0972 0.1228
Loa Loa (eye worm) hypothetical protein 0.0038 0.0972 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.053 uM Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [3H]-MDL- 105,519 ChEMBL. 12502360
Ki (binding) = 0.053 uM Tested for the affinity for the glycine binding site of the N-methyl-D-aspartate glutamate receptor using pig brain membranes in binding assay with [3H]-MDL- 105,519 ChEMBL. 12502360

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.