Detailed information for compound 1121062

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 343.791 | Formula: C15H10ClN5OS
  • H donors: 1 H acceptors: 3 LogP: 3.09 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1cnc2c(c1=O)sc1c2c(N)nc(n1)C
  • InChi: 1S/C15H10ClN5OS/c1-7-19-13(17)10-11-12(23-14(10)20-7)15(22)21(6-18-11)9-4-2-8(16)3-5-9/h2-6H,1H3,(H2,17,19,20)
  • InChiKey: HZPLOPOZKSZUIE-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glutamate receptor, metabotropic 5 Starlite/ChEMBL References
Homo sapiens glutamate receptor, metabotropic 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 5 Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus multilocularis metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127095 All targets in OG5_127095
Echinococcus granulosus metabotropic glutamate receptor 2 Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum ko:K04606 glutamate receptor, metabotropic 3, putative Get druggable targets OG5_127095 All targets in OG5_127095
Brugia malayi Metabotropic glutamate receptor precursor. Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma mansoni metabotropic glutamate receptor Get druggable targets OG5_127095 All targets in OG5_127095
Schistosoma japonicum Metabotropic glutamate receptor precursor, putative Get druggable targets OG5_127095 All targets in OG5_127095

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
Echinococcus granulosus lamin 0.0028 0.1211 0.1118
Schistosoma mansoni metabotropic glutamate receptor 0.0082 0.6358 0.6929
Brugia malayi Receptor family ligand binding region containing protein 0.0025 0.0976 0.1241
Echinococcus multilocularis lamin 0.0028 0.1211 0.1118
Loa Loa (eye worm) hypothetical protein 0.0028 0.1211 0.1211
Echinococcus granulosus lamin dm0 0.0028 0.1211 0.1118
Loa Loa (eye worm) glutamate receptor 0.0038 0.2245 0.2245
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0025 0.0976 0.0976
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0016 0.0105 0.0134
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.1211 0.1211
Loa Loa (eye worm) hypothetical protein 0.0025 0.0976 0.0976
Brugia malayi intermediate filament protein 0.0028 0.1211 0.1541
Brugia malayi metabotropic glutamate receptor type 2 0.0048 0.3115 0.3963
Echinococcus multilocularis musashi 0.0028 0.1211 0.1118
Brugia malayi Metabotropic glutamate receptor precursor. 0.0098 0.7861 1
Onchocerca volvulus 0.0028 0.1211 1
Schistosoma mansoni metabotropic glutamate receptor 0.0048 0.3115 0.3335
Schistosoma mansoni lamin 0.0028 0.1211 0.1226
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0025 0.0976 0.0976
Loa Loa (eye worm) hypothetical protein 0.012 1 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.1211 0.1226
Echinococcus granulosus intermediate filament protein 0.0028 0.1211 0.1118
Onchocerca volvulus 0.0028 0.1211 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0111 0.9129 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0105 0.0105
Schistosoma mansoni lamin 0.0028 0.1211 0.1226
Loa Loa (eye worm) glutamate receptor 0.0098 0.7861 0.7861
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0089 0.699 0.8893
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0082 0.6358 0.6319
Echinococcus multilocularis metabotropic glutamate receptor 5 0.012 1 1
Loa Loa (eye worm) intermediate filament protein 0.0028 0.1211 0.1211
Echinococcus granulosus metabotropic glutamate receptor 2 0.0082 0.6358 0.6319
Echinococcus multilocularis lamin dm0 0.0028 0.1211 0.1118
Loa Loa (eye worm) hypothetical protein 0.0027 0.1163 0.1163
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.1211 0.1541

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 11 nM Antagonist activity at human mGluR1 ChEMBL. 20346665
IC50 (functional) > 3000 nM Antagonist activity at human mGluR5 ChEMBL. 20346665

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.