Detailed information for compound 928760

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 336.141 | Formula: C13H10BrN3O3
  • H donors: 2 H acceptors: 3 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1ccc(c(c1)/C=N/Nc1ccc(cc1)[N+](=O)[O-])O
  • InChi: 1S/C13H10BrN3O3/c14-10-1-6-13(18)9(7-10)8-15-16-11-2-4-12(5-3-11)17(19)20/h1-8,16,18H/b15-8+
  • InChiKey: GKLPOJYPBQUHCC-OVCLIPMQSA-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 cytochrome b5-dependent oleate desaturase 0.0253 0.1973 0.1973
Leishmania major fatty acid desaturase, putative 0.0253 0.1973 0.1973
Trypanosoma cruzi cytochrome b5-dependent oleate desaturase 0.0253 0.1973 0.1973
Leishmania major delta-4 fatty acid desaturase 0.0253 0.1973 0.1973
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0253 0.1973 1
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0253 0.1973 1
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0253 0.1973 0.5
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0253 0.1973 0.1973
Trypanosoma brucei delta-4 fatty acid desaturase 0.0253 0.1973 0.1973
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0253 0.1973 0.1973
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0253 0.1973 0.5
Brugia malayi acyl-CoA desaturase 0.0957 0.7879 1
Mycobacterium ulcerans electron transfer protein FdxB 0.0253 0.1973 1
Schistosoma mansoni fatty acid desaturase 0.0253 0.1973 0.5
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Loa Loa (eye worm) acyl-CoA desaturase 0.0957 0.7879 1
Loa Loa (eye worm) FAT-3 protein 0.0253 0.1973 0.2504
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0253 0.1973 0.5
Trypanosoma cruzi sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Loa Loa (eye worm) hypothetical protein 0.0253 0.1973 0.2504
Leishmania major fatty acid desaturase, putative 0.0253 0.1973 0.1973
Trypanosoma cruzi fatty acid desaturase, putative 0.0253 0.1973 0.1973
Mycobacterium ulcerans hypothetical protein 0.0253 0.1973 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Onchocerca volvulus 0.121 1 1
Leishmania major delta-6 fatty acid desaturase 0.0253 0.1973 0.1973
Loa Loa (eye worm) fatty acid desaturase 0.0253 0.1973 0.2504
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0253 0.1973 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0253 0.1973 1
Leishmania major delta-5 fatty acid desaturase 0.0253 0.1973 0.1973
Trypanosoma brucei sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Leishmania major fatty-acid desaturase, putative 0.121 1 1
Leishmania major delta-12 fatty acid desaturase 0.0253 0.1973 0.1973
Mycobacterium tuberculosis Probable conserved membrane protein 0.0253 0.1973 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.0957 0.7879 0.5
Mycobacterium ulcerans hypothetical protein 0.0253 0.1973 1
Brugia malayi Fatty acid desaturase family protein 0.0253 0.1973 0.2504
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0253 0.1973 0.5
Brugia malayi Fatty acid desaturase family protein 0.0253 0.1973 0.2504
Onchocerca volvulus 0.121 1 1
Leishmania major fatty acid desaturase, putative,sphingolipid delta 4 desaturase, putative 0.0253 0.1973 0.1973
Brugia malayi Delta5 fatty acid desaturase 0.0253 0.1973 0.2504
Echinococcus granulosus Fatty acid desaturase type 1 0.0253 0.1973 0.5
Trypanosoma brucei delta-6 fatty acid desaturase, putative 0.0253 0.1973 0.1973
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0253 0.1973 0.5
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0253 0.1973 0.5
Trypanosoma cruzi fatty acid desaturase, putative 0.0957 0.7879 0.7879
Trypanosoma cruzi fatty acid desaturase, putative 0.0253 0.1973 0.1973
Loa Loa (eye worm) fatty acid desaturase 0.0253 0.1973 0.2504
Trypanosoma cruzi fatty acid desaturase, putative 0.121 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0957 0.7879 0.7879
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0253 0.1973 0.5
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0957 0.7879 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.121 1 1

Activities

Activity type Activity value Assay description Source Reference
MIC80 (functional) Antifungal activity against Candida albicans ATCC 10231 by NCCLS method ChEMBL. 25127462

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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