Detailed information for compound 1504004

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 249.264 | Formula: C16H11NO2
  • H donors: 0 H acceptors: 2 LogP: 2.7 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCOc2c1ccc(n2)C#Cc1ccccc1
  • InChi: 1S/C16H11NO2/c18-15-10-11-19-16-14(15)9-8-13(17-16)7-6-12-4-2-1-3-5-12/h1-5,8-9H,10-11H2
  • InChiKey: PTFPDJNGFQEXOG-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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
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
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 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
Echinococcus multilocularis metabotropic glutamate receptor 5 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 5 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
Echinococcus multilocularis metabotropic glutamate receptor 2 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 japonicum hypothetical protein 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
Loa Loa (eye worm) FAT-3 protein 0.0201 0.0796 0.0761
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0201 0.0796 1
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0201 0.0796 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.205 0.9097 0.5
Loa Loa (eye worm) hypothetical protein 0.0201 0.0796 0.0761
Echinococcus granulosus Fatty acid desaturase type 1 0.0201 0.0796 1
Mycobacterium ulcerans hypothetical protein 0.0201 0.0796 0.5
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0201 0.0796 0.5
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0201 0.0796 0.5
Brugia malayi Fatty acid desaturase family protein 0.0201 0.0796 0.0875
Trypanosoma cruzi fatty acid desaturase, putative 0.205 0.9097 0.9019
Mycobacterium tuberculosis Probable conserved membrane protein 0.0201 0.0796 0.5
Brugia malayi Metabotropic glutamate receptor precursor. 0.0049 0.0113 0.0124
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0201 0.0796 0.5
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0201 0.0796 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.2252 1 1
Echinococcus granulosus metabotropic glutamate receptor 5 0.006 0.0163 0.1201
Schistosoma mansoni fatty acid desaturase 0.0201 0.0796 1
Schistosoma mansoni metabotropic glutamate receptor 0.0041 0.0077 0.0966
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0201 0.0796 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0201 0.0796 1
Brugia malayi Fatty acid desaturase family protein 0.0201 0.0796 0.0875
Loa Loa (eye worm) fatty acid desaturase 0.0201 0.0796 0.0761
Loa Loa (eye worm) fatty acid desaturase 0.0201 0.0796 0.0761
Trypanosoma brucei fatty acid desaturase, putative 0.2252 1 1
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0056 0.0143 0.1792
Onchocerca volvulus 0.2252 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0163 0.0056
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0201 0.0796 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.006 0.0163 0.1201
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0201 0.0796 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.205 0.9097 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.205 0.9097 0.9019
Mycobacterium ulcerans electron transfer protein FdxB 0.0201 0.0796 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0201 0.0796 0.5
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0044 0.0092 0.0101
Brugia malayi Delta5 fatty acid desaturase 0.0201 0.0796 0.0875
Mycobacterium ulcerans hypothetical protein 0.0201 0.0796 0.5
Leishmania major fatty-acid desaturase, putative 0.2252 1 1
Loa Loa (eye worm) acyl-CoA desaturase 0.205 0.9097 1
Onchocerca volvulus 0.2252 1 1
Brugia malayi acyl-CoA desaturase 0.205 0.9097 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 7.94 Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay ChEMBL. 21295468
EC50 (binding) = 11.5 nM Positive allosteric modulation of human mGlu4 receptor expressed in human HEK293 cells assessed as potentiation of glutamate-induced calcium mobilization after 1 hr by FLIPR assay ChEMBL. 21295468

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.

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