Detailed information for compound 1465290

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.629 | Formula: C11H16BrClN4
  • H donors: 3 H acceptors: 0 LogP: 1.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCC[C@H]1CNC(=N1)Nc1cccc(c1)Cl.Br
  • InChi: 1S/C11H15ClN4.BrH/c12-8-2-1-3-9(6-8)15-11-14-7-10(16-11)4-5-13;/h1-3,6,10H,4-5,7,13H2,(H2,14,15,16);1H/t10-;/m0./s1
  • InChiKey: AJEFSGMBUOMVGU-PPHPATTJSA-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
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1157 0.1157
Loa Loa (eye worm) hypothetical protein 0.0207 0.6634 0.6634
Schistosoma mansoni Fxna peptidase (M28 family) 0.0207 0.6634 0.6634
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0207 0.6634 0.6634
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0953 0.1436
Echinococcus multilocularis voltage gated potassium channel 0.0011 0.0119 0.0119
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0207 0.6634 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0039 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0207 0.6634 0.6634
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0039 0.1038 0.1038
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0207 0.6634 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0011 0.0119 0.0119
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0011 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0119
Echinococcus granulosus voltage gated potassium channel 0.0011 0.0119 0.0119
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0039 0.1038 0.1038
Loa Loa (eye worm) hypothetical protein 0.0308 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0207 0.6634 1
Brugia malayi leucyl aminopeptidase 0.0207 0.6634 0.6634
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0207 0.6634 0.6634
Toxoplasma gondii peptidase, M28 family protein 0.0207 0.6634 0.5
Schistosoma mansoni nicalin (M28 family) 0.0207 0.6634 0.6634
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0207 0.6634 0.6634
Toxoplasma gondii hypothetical protein 0.0207 0.6634 0.5
Leishmania major hypothetical protein, conserved 0.0207 0.6634 0.5
Loa Loa (eye worm) leucyl aminopeptidase 0.0207 0.6634 0.6634
Onchocerca volvulus Glutaminyl cyclase homolog 0.0308 1 1
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0207 0.6634 0.6634
Mycobacterium tuberculosis Conserved protein 0.0207 0.6634 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0867 0.0867
Trypanosoma brucei glutaminyl cyclase, putative 0.0207 0.6634 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0207 0.6634 1
Trypanosoma cruzi glutaminyl cyclase, putative 0.0207 0.6634 0.5
Brugia malayi nicalin 0.0207 0.6634 0.6634
Loa Loa (eye worm) hypothetical protein 0.0207 0.6634 0.6634
Trypanosoma cruzi glutaminyl cyclase, putative 0.0207 0.6634 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0207 0.6634 0.6634
Schistosoma mansoni voltage-gated potassium channel 0.0042 0.1157 0.1157
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0039 0.1038 0.1038
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0308 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0207 0.6634 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0011 0.0119 0.0119
Brugia malayi FXNA 0.0207 0.6634 0.6634
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0308 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0119 0.0119
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0207 0.6634 0.6634
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0207 0.6634 0.5
Loa Loa (eye worm) hypothetical protein 0.0207 0.6634 0.6634
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0308 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0036 0.0953 0.1436
Leishmania major glutaminyl cyclase, putative 0.0207 0.6634 0.5
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0207 0.6634 0.6634
Schistosoma mansoni voltage-gated potassium channel 0.0011 0.0119 0.0119
Mycobacterium ulcerans hypothetical protein 0.0207 0.6634 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 33900 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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