Detailed information for compound 1699814

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 342.382 | Formula: C20H20F2N2O
  • H donors: 0 H acceptors: 1 LogP: 4.63 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1n(cnc1c1ccc(cc1F)F)Cc1ccccc1OC
  • InChi: 1S/C20H20F2N2O/c1-3-6-18-20(16-10-9-15(21)11-17(16)22)23-13-24(18)12-14-7-4-5-8-19(14)25-2/h4-5,7-11,13H,3,6,12H2,1-2H3
  • InChiKey: SHPOBNOCPVZXKP-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
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0015 0.009 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.3355 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0106 0.6983 1
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0015 0.009 0.0267
Trypanosoma brucei PAB1-binding protein , putative 0.0031 0.1294 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0031 0.1294 0.5
Onchocerca volvulus 0.0146 1 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0031 0.1294 0.5
Brugia malayi hypothetical protein 0.0031 0.1294 0.1216
Echinococcus granulosus Aminotransferase class III 0.0015 0.009 0.0267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0058 0.3355 1
Brugia malayi hypothetical protein 0.002 0.0463 0.0376
Echinococcus multilocularis ornithine aminotransferase 0.0015 0.009 0.0267
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.3355 1
Echinococcus multilocularis Aminotransferase class III 0.0015 0.009 0.0267
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0058 0.3355 0.3295
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0106 0.6983 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0058 0.3355 1
Echinococcus multilocularis ornithine aminotransferase 0.0015 0.009 0.0267
Mycobacterium tuberculosis Probable aminotransferase 0.0106 0.6983 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0031 0.1294 1
Plasmodium vivax ataxin-2 like protein, putative 0.0031 0.1294 1
Toxoplasma gondii LsmAD domain-containing protein 0.0031 0.1294 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0058 0.3355 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0058 0.3355 0.2367
Loa Loa (eye worm) pax transcription factor protein 2 0.0146 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0031 0.1294 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0106 0.6983 0.5
Mycobacterium ulcerans hypothetical protein 0.0106 0.6983 1
Leishmania major hypothetical protein, conserved 0.0031 0.1294 0.5
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0106 0.6983 1
Echinococcus granulosus ornithine aminotransferase 0.0015 0.009 0.0267
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0058 0.3355 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0058 0.3355 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0015 0.009 0.5

Activities

No activities found for this compound.

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

No literature references available for this target.

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