Detailed information for compound 1464157

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 300.198 | Formula: C11H18BrN5
  • H donors: 3 H acceptors: 1 LogP: 0.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(n1)NC1=N[C@@H](CN1)CCN.Br
  • InChi: 1S/C11H17N5.BrH/c1-8-3-2-4-10(14-8)16-11-13-7-9(15-11)5-6-12;/h2-4,9H,5-7,12H2,1H3,(H2,13,14,15,16);1H/t9-;/m1./s1
  • InChiKey: YJBPPHDQCKBJBA-SBSPUUFOSA-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
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
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

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
Onchocerca volvulus 0.0318 0.3394 0.3394
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0318 0.3394 0.3334
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.3394 0.5
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0318 0.3394 0.5
Loa Loa (eye worm) hypothetical protein 0.0318 0.3394 0.3391
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0318 0.3394 0.5
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0614 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.3394 0.5
Toxoplasma gondii hypothetical protein 0.0318 0.3394 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0318 0.3394 0.3334
Trypanosoma brucei glutaminyl cyclase, putative 0.0318 0.3394 0.5
Mycobacterium tuberculosis Conserved protein 0.0318 0.3394 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.0318 0.3394 0.3391
Brugia malayi nicalin 0.0318 0.3394 0.3391
Trypanosoma cruzi glutaminyl cyclase, putative 0.0318 0.3394 0.5
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0318 0.3394 0.3334
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0614 1 1
Onchocerca volvulus Fxna peptidase homolog 0.0318 0.3394 0.3394
Toxoplasma gondii peptidase, M28 family protein 0.0318 0.3394 0.5
Loa Loa (eye worm) hypothetical protein 0.0318 0.3394 0.3391
Brugia malayi leucyl aminopeptidase 0.0318 0.3394 0.3391
Onchocerca volvulus Fxna peptidase homolog 0.0318 0.3394 0.3394
Leishmania major hypothetical protein, conserved 0.0318 0.3394 0.5
Onchocerca volvulus Fxna peptidase homolog 0.0318 0.3394 0.3394
Trypanosoma cruzi glutaminyl cyclase, putative 0.0318 0.3394 0.5
Mycobacterium ulcerans hypothetical protein 0.0318 0.3394 0.5
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0614 1 1
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0318 0.3394 0.5
Loa Loa (eye worm) hypothetical protein 0.0614 1 1
Leishmania major glutaminyl cyclase, putative 0.0318 0.3394 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0318 0.3394 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0318 0.3394 0.3334
Loa Loa (eye worm) hypothetical protein 0.0318 0.3394 0.3391
Onchocerca volvulus Glutaminyl cyclase homolog 0.0614 1 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.3394 0.3391
Brugia malayi FXNA 0.0318 0.3394 0.3391
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0318 0.3394 0.3334

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 8509 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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