Detailed information for compound 922416

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 260.333 | Formula: C18H16N2
  • H donors: 1 H acceptors: 0 LogP: 4.08 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1cc(c2c1cccc2)Cc1cc2c([nH]1)cccc2
  • InChi: 1S/C18H16N2/c1-20-12-14(16-7-3-5-9-18(16)20)11-15-10-13-6-2-4-8-17(13)19-15/h2-10,12,19H,11H2,1H3
  • InChiKey: XSEDDFYLKCPNEV-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 aryl hydrocarbon receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma mansoni aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma japonicum IPR001189,Manganese and iron superoxide dismutase,domain-containing Get druggable targets OG5_133500 All targets in OG5_133500
Brugia malayi aryl hydrocarbon receptor AHR-1 Get druggable targets OG5_133500 All targets in OG5_133500
Schistosoma japonicum ko:K09093 aryl hydrocarbon receptor, putative Get druggable targets OG5_133500 All targets in OG5_133500
Echinococcus granulosus aryl hydrocarbon receptor Get druggable targets OG5_133500 All targets in OG5_133500
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133500 All targets in OG5_133500
Onchocerca volvulus Get druggable targets OG5_133500 All targets in OG5_133500

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
Schistosoma mansoni aryl hydrocarbon receptor 0.0213 0.2672 0.463
Onchocerca volvulus 0.0158 0.1742 1
Echinococcus granulosus DNA topoisomerase 1 0.0375 0.5409 1
Trypanosoma cruzi DNA topoisomerase IB, large subunit, putative 0.0281 0.3816 1
Echinococcus multilocularis DNA topoisomerase 1 0.0375 0.5409 1
Trypanosoma brucei DNA topoisomerase IB, large subunit 0.0281 0.3816 1
Toxoplasma gondii DNA topoisomerase I, putative 0.0375 0.5409 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0375 0.5409 1
Loa Loa (eye worm) DNA topoisomerase I 0.0375 0.5409 1
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0601 0.923 0.5
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0139 0.1419 0.2172
Plasmodium falciparum topoisomerase I 0.0375 0.5409 0.5
Schistosoma mansoni DNA topoisomerase type I 0.0281 0.3816 0.6875
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0646 1 0.5
Loa Loa (eye worm) hypothetical protein 0.014 0.143 0.0027
Schistosoma mansoni DNA topoisomerase type I 0.0281 0.3816 0.6875
Leishmania major DNA topoisomerase IB, large subunit 0.0281 0.3816 1
Brugia malayi DNA topoisomerase I 0.0375 0.5409 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1742 0.0809
Plasmodium vivax topoisomerase I, putative 0.0375 0.5409 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 0.086 uM Activation of AhR in human HepG2 cells assessed as fluorescence after 24 hrs incubation by EROD assay ChEMBL. 24997686

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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