Detailed information for compound 1465295

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 354.074 | Formula: C11H15BrCl2N4
  • H donors: 3 H acceptors: 0 LogP: 2.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC[C@H]1CNC(=N1)Nc1c(Cl)cccc1Cl.Br
  • InChi: 1S/C11H14Cl2N4.BrH/c12-8-2-1-3-9(13)10(8)17-11-15-6-7(16-11)4-5-14;/h1-3,7H,4-6,14H2,(H2,15,16,17);1H/t7-;/m0./s1
  • InChiKey: YJACWAKPTDIVOL-FJXQXJEOSA-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
Rattus norvegicus Nischarin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis nischarin Get druggable targets OG5_133208 All targets in OG5_133208
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133208 All targets in OG5_133208
Brugia malayi hypothetical protein Get druggable targets OG5_133208 All targets in OG5_133208
Onchocerca volvulus Nischarin homolog Get druggable targets OG5_133208 All targets in OG5_133208
Echinococcus granulosus nischarin Get druggable targets OG5_133208 All targets in OG5_133208

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 granulosus endoplasmic reticulum metallopeptidase 1 0.0182 0.1895 0.1891
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0182 0.1895 0.1895
Onchocerca volvulus Glutaminyl cyclase homolog 0.0503 1 1
Schistosoma mansoni nicalin (M28 family) 0.0182 0.1895 0.1895
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0182 0.1895 0.1891
Brugia malayi hypothetical protein 0.0166 0.149 0.149
Echinococcus multilocularis nischarin 0.017 0.1586 0.1581
Mycobacterium ulcerans hypothetical protein 0.0182 0.1895 0.5
Brugia malayi nicalin 0.0182 0.1895 0.1895
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0503 1 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0182 0.1895 0.1895
Toxoplasma gondii hypothetical protein 0.0182 0.1895 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0182 0.1895 0.1895
Loa Loa (eye worm) hypothetical protein 0.0107 0.0005 0.0005
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0182 0.1895 0.5
Schistosoma mansoni Fxna peptidase (M28 family) 0.0182 0.1895 0.1895
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0182 0.1895 0.1891
Onchocerca volvulus Nischarin homolog 0.0166 0.1485 0.1485
Loa Loa (eye worm) hypothetical protein 0.0166 0.149 0.149
Mycobacterium tuberculosis Conserved protein 0.0182 0.1895 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0503 1 1
Onchocerca volvulus Fxna peptidase homolog 0.0182 0.1895 0.1895
Brugia malayi FXNA 0.0182 0.1895 0.1895
Brugia malayi leucyl aminopeptidase 0.0182 0.1895 0.1895
Onchocerca volvulus Fxna peptidase homolog 0.0182 0.1895 0.1895
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1895 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1895 0.1895
Brugia malayi Peroxidasin 0.0107 0.0005 0.0005
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0503 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1895 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1895 0.1895
Loa Loa (eye worm) hypothetical protein 0.0503 1 1
Schistosoma mansoni peroxidasin 0.0107 0.0005 0.0005
Trypanosoma brucei glutaminyl cyclase, putative 0.0182 0.1895 0.5
Toxoplasma gondii peptidase, M28 family protein 0.0182 0.1895 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.1895 0.1895
Trypanosoma cruzi glutaminyl cyclase, putative 0.0182 0.1895 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.0182 0.1895 0.1895
Leishmania major glutaminyl cyclase, putative 0.0182 0.1895 0.5
Onchocerca volvulus 0.0182 0.1895 0.1895
Loa Loa (eye worm) hypothetical protein 0.0182 0.1895 0.1895
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0182 0.1895 0.5
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0182 0.1895 0.5
Echinococcus granulosus nischarin 0.017 0.1586 0.1581
Trichomonas vaginalis conserved hypothetical protein 0.0182 0.1895 0.5
Trypanosoma cruzi glutaminyl cyclase, putative 0.0182 0.1895 0.5
Leishmania major hypothetical protein, conserved 0.0182 0.1895 0.5
Onchocerca volvulus Peroxidasin homolog 0.0107 0.0005 0.0005
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0182 0.1895 0.1891
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0182 0.1895 0.1891

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7749 nM Inhibition of Sprague-Dawley rat imidazoline I1 receptor ChEMBL. 21159515

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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