Detailed information for compound 321057

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.348 | Formula: C18H17N3
  • H donors: 1 H acceptors: 2 LogP: 3.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)Cc1cccc(c1)NCc1cncnc1
  • InChi: 1S/C18H17N3/c1-2-5-15(6-3-1)9-16-7-4-8-18(10-16)21-13-17-11-19-14-20-12-17/h1-8,10-12,14,21H,9,13H2
  • InChiKey: JCGLXRIXRSTYCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma brucei hypothetical protein, conserved 0.0394 0.2853 0.2728
Treponema pallidum ribonuclease H (rnhA) 0.0363 0.2626 0.5
Leishmania major ribonuclease H1, putative 0.0363 0.2626 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.0208 0.0036
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Trypanosoma brucei ingi protein (ORF1) 0.0394 0.2853 0.2728
Toxoplasma gondii ribonuclease HI protein 0.0363 0.2626 0.5
Schistosoma mansoni phosphoglucomutase 0.0363 0.2626 0.2497
Echinococcus multilocularis RNA directed DNA polymerase 0.0031 0.0172 0.0654
Echinococcus granulosus jun protein 0.0044 0.0268 0.1022
Giardia lamblia Ribonuclease H 0.0363 0.2626 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0044 0.0268 0.1022
Brugia malayi RNase H family protein 0.0363 0.2626 1
Brugia malayi bZIP transcription factor family protein 0.0044 0.0268 0.0394
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0172 0.0654
Echinococcus granulosus KRAB A domain containing protein 0.0031 0.0172 0.0654
Onchocerca volvulus Ribonuclease H1 homolog 0.0363 0.2626 1
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0394 0.2853 0.2728
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0172 0.0654
Mycobacterium tuberculosis Possible maturase 0.0031 0.0172 0.5
Echinococcus multilocularis ribonuclease H1 0.0363 0.2626 1
Echinococcus multilocularis jun protein 0.0044 0.0268 0.1022
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0044 0.0268 0.1022
Trichomonas vaginalis ribonuclease H1, putative 0.0363 0.2626 1
Trypanosoma brucei ribonuclease H1 0.0363 0.2626 0.2497
Schistosoma mansoni phosphoglucomutase 0.0363 0.2626 0.2497
Schistosoma mansoni phosphoglucomutase 0.0363 0.2626 0.2497
Echinococcus granulosus nuclear factor of activated T cells 5 0.0039 0.0228 0.087
Trypanosoma brucei ingi protein (ORF1) 0.0394 0.2853 0.2728
Loa Loa (eye worm) hypothetical protein 0.0043 0.026 1
Echinococcus granulosus RNA directed DNA polymerase 0.0031 0.0172 0.0654
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0039 0.0228 0.087
Brugia malayi RNase H family protein 0.0363 0.2626 1
Trypanosoma brucei unspecified product 0.0394 0.2853 0.2728
Trypanosoma cruzi ribonuclease H1, putative 0.0363 0.2626 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Echinococcus granulosus ribonuclease H1 0.0363 0.2626 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Onchocerca volvulus 0.0035 0.0199 0.011
Schistosoma mansoni jun-related protein 0.0036 0.0208 0.0036
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0363 0.2626 0.5
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Trypanosoma cruzi ribonuclease H1, putative 0.0363 0.2626 1
Trypanosoma brucei RNA helicase, putative 0.1362 1 1
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0172 0.0654
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0031 0.0172 0.0654
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0031 0.0172 0.0654
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0031 0.0172 0.0654
Brugia malayi hypothetical protein 0.0035 0.0199 0.011
Brugia malayi RNase H family protein 0.0363 0.2626 1

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.71 uM Binding potency against Metabotropic glutamate receptor 2 was determined by measuring the concentration required to activate 50% of [35S]-GTP-gammaS, in presence of 10 uM glutamate ChEMBL. 15380201
ED50 (functional) = 0.71 uM Binding potency against Metabotropic glutamate receptor 2 was determined by measuring the concentration required to activate 50% of [35S]-GTP-gammaS, in presence of 10 uM glutamate ChEMBL. 15380201
Potentiation (functional) = 31 % Level of potentiation of Metabotropic glutamate receptor 2 was determined by measuring the percentage activation of [35S]-GTP-gammaS, in the presence of 10 uM glutamate ChEMBL. 15380201
Potentiation (functional) = 31 % Level of potentiation of Metabotropic glutamate receptor 2 was determined by measuring the percentage activation of [35S]-GTP-gammaS, in the presence of 10 uM glutamate ChEMBL. 15380201

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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