Detailed information for compound 1164779

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 287.315 | Formula: C18H13N3O
  • H donors: 1 H acceptors: 2 LogP: 3.63 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc(cc1c1nc2c(o1)cccc2)c1ccccc1
  • InChi: 1S/C18H13N3O/c19-17-14(18-21-15-8-4-5-9-16(15)22-18)10-13(11-20-17)12-6-2-1-3-7-12/h1-11H,(H2,19,20)
  • InChiKey: LTKPJNHCMAKHSW-UHFFFAOYSA-N  

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
Echinococcus multilocularis muscleblind protein 1 0.0145 0.7068 0.6975
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.051 0.0209
Schistosoma mansoni hypothetical protein 0.0035 0.051 0.0209
Brugia malayi hypothetical protein 0.0035 0.051 0.03
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0092 0.39 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.2307 0.2957
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.051 0.0209
Loa Loa (eye worm) hypothetical protein 0.0054 0.1649 0.1984
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0307 0.0788
Echinococcus granulosus jumonji domain containing protein 0.0044 0.1043 0.0759
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0092 0.39 1
Echinococcus multilocularis muscleblind protein 0.0145 0.7068 0.6975
Trichomonas vaginalis subgroup IIIi aminotransferase, putative 0.0092 0.39 0.5
Mycobacterium ulcerans branched-chain amino acid aminotransferase 0.0092 0.39 1
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0702 0.0408
Brugia malayi jmjC domain containing protein 0.0104 0.4579 0.6318
Mycobacterium leprae PROBABLE BRANCHED-CHAIN AMINO ACID TRANSAMINASE ILVE 0.0092 0.39 0.5
Plasmodium falciparum phd finger protein, putative 0.0032 0.0307 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0307 0.0788
Giardia lamblia Branched-chain amino acid aminotransferase lateral transfer candidate 0.0092 0.39 1
Mycobacterium tuberculosis Branched-chain amino acid transaminase IlvE 0.0092 0.39 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0702 0.0408
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.051 0.0209
Schistosoma mansoni jumonji domain containing protein 0.0082 0.3315 0.3103
Loa Loa (eye worm) hypothetical protein 0.0145 0.7068 1
Toxoplasma gondii Branched-chain-amino-acid aminotransferase 0.0092 0.39 1
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0307 1
Trypanosoma cruzi Aminotransferase class IV, putative 0.0026 0 0.5
Brugia malayi Branched-chain amino acid aminotransferase, cytosolic, putative 0.0092 0.39 0.5314
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0702 0.0584
Entamoeba histolytica branched-chain amino acid aminotransferase, putative 0.0092 0.39 1
Loa Loa (eye worm) branched-chain amino acid aminotransferase 0.0092 0.39 0.5314
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0092 0.39 1
Brugia malayi jmjC domain containing protein 0.0038 0.0702 0.0584
Schistosoma mansoni hypothetical protein 0.0195 1 1
Onchocerca volvulus Alhambra homolog 0.0032 0.0307 0.5
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.1043 0.0759
Schistosoma mansoni hypothetical protein 0.0195 1 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.4579 0.4407
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0702 0.0408
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.4579 0.4407
Giardia lamblia PHD finger protein 15 0.0032 0.0307 0.0788
Loa Loa (eye worm) hypothetical protein 0.0145 0.7068 1
Echinococcus multilocularis geminin 0.0195 1 1
Leishmania major branched-chain amino acid aminotransferase, putative 0.0092 0.39 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0702 0.0408
Echinococcus granulosus muscleblind protein 0.0145 0.7068 0.6975
Trichomonas vaginalis branched-chain amino acid aminotransferase, putative 0.0092 0.39 0.5
Brugia malayi Muscleblind-like protein 0.0145 0.7068 1

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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