Detailed information for compound 138161

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 241.288 | Formula: C14H15N3O
  • H donors: 1 H acceptors: 1 LogP: 3.19 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(ccc1N)/[N+](=N/c1ccccc1C)/[O-]
  • InChi: 1S/C14H15N3O/c1-10-5-3-4-6-14(10)16-17(18)12-7-8-13(15)11(2)9-12/h3-9H,15H2,1-2H3/b17-16-
  • InChiKey: FIFMONWRNIEGNR-MSUUIHNZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Mycobacterium leprae Conserved hypothetical protein 0.0012 0 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.4946 0.4946
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.324 0.3779
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.4946 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.9337 0.9337
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.324 0.324
Schistosoma mansoni ap endonuclease 0.004 0.4946 0.4946
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.8573 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 1 1
Toxoplasma gondii exonuclease III APE 0.004 0.4946 0.4946
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.4946 0.4946
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.4946 0.5769
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.4946 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.4946 0.4946
Toxoplasma gondii aldehyde dehydrogenase 0.007 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.4946 0.5297
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.4946 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 1 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 1 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.4946 0.5
Trypanosoma brucei cytochrome P450, putative 0.003 0.324 0.6551
Trichomonas vaginalis ap endonuclease, putative 0.004 0.4946 0.5
Brugia malayi Cytochrome P450 family protein 0.003 0.324 0.347
Leishmania major cytochrome p450-like protein 0.003 0.324 0.324
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.9337 0.9337
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.4946 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.9337 0.9337
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0066 0.9337 0.9337
Loa Loa (eye worm) CYP4Cod1 0.003 0.324 0.3779
Mycobacterium ulcerans aldehyde dehydrogenase 0.007 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 1 1
Brugia malayi Cytochrome P450 family protein 0.003 0.324 0.347
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0066 0.9337 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.4946 0.5
Mycobacterium leprae putative cytochrome p450 0.0012 0 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.4946 0.4946
Trypanosoma cruzi cytochrome P450, putative 0.003 0.324 0.6551
Schistosoma mansoni ap endonuclease 0.004 0.4946 0.4946
Schistosoma mansoni aldehyde dehydrogenase 0.007 1 1
Trichomonas vaginalis ap endonuclease, putative 0.004 0.4946 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.4946 0.4946
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0066 0.9337 0.9337
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.4946 0.5
Trypanosoma cruzi cytochrome P450, putative 0.003 0.324 0.6551
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.9337 0.9337
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.4946 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.324 0.3779
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.4946 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.9337 0.9337
Loa Loa (eye worm) hypothetical protein 0.0019 0.1231 0.1436

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NT 0 Tested for carcinogenic activity on breast after oral administration of the compound; - denotes non carcinogenic activity. ChEMBL. 7265110
Activity (functional) NT 0 Carcinogenic activity on ear duct after oral administration of the compound; - denotes non carcinogenic activity. ChEMBL. 7265110
Activity (functional) NT 0 Carcinogenic activity on liver after oral administration of the compound ChEMBL. 7265110
Activity (functional) NT 0 Carcinogenic activity after oral administration ChEMBL. 7265110
Activity (functional) NT 0 Carcinogenic activity on all sites after oral administration ChEMBL. 7265110
Activity (functional) NT 0 Carcinogenic activity on mixed data after oral administration ChEMBL. 7265110

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.