Detailed information for compound 132847

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 167.028 | Formula: C3H9BrN3-
  • H donors: 2 H acceptors: 0 LogP: 0.43 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=N)NC.[Br-]
  • InChi: 1S/C3H9N3.BrH/c1-5-3(4)6-2;/h1-2H3,(H3,4,5,6);1H/p-1
  • InChiKey: CVAHOSSNEIXARZ-UHFFFAOYSA-M  

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
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0196 0.3281 0.3571
Onchocerca volvulus 0.0262 0.5074 0.5
Brugia malayi Glutamate receptor 2 precursor 0.0178 0.2784 0.2784
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0196 0.3281 0.3571
Echinococcus granulosus glutamate NMDA receptor subunit 0.0378 0.8191 1
Schistosoma mansoni glutamate receptor AMPA 0.0178 0.2784 0.3399
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.0935 0.0935
Echinococcus multilocularis glutamate receptor 2 0.0178 0.2784 0.292
Brugia malayi Glutamate receptor 1 precursor 0.0178 0.2784 0.2784
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 1 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0378 0.8191 1
Echinococcus granulosus glutamate receptor 2 0.0196 0.3281 0.3571
Schistosoma mansoni ATP-binding cassette transporter 0.0178 0.2784 0.3399
Loa Loa (eye worm) hypothetical protein 0.0227 0.4123 0.4123
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.0935 0.0935
Loa Loa (eye worm) hypothetical protein 0.0257 0.4919 0.4919
Trichomonas vaginalis set domain proteins, putative 0.0262 0.5074 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0196 0.3281 0.3571
Schistosoma mansoni hypothetical protein 0.0372 0.8028 0.9801
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0196 0.3281 0.3571
Brugia malayi hypothetical protein 0.0257 0.4919 0.4919
Echinococcus multilocularis nmda type glutamate receptor 0.0161 0.2332 0.2328
Brugia malayi Pre-SET motif family protein 0.0231 0.4213 0.4213
Loa Loa (eye worm) hypothetical protein 0.0109 0.0935 0.0935
Echinococcus granulosus nmda type glutamate receptor 0.0114 0.1051 0.0651
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0231 0.4213 0.4213
Loa Loa (eye worm) glutamate receptor 2 0.0178 0.2784 0.2784
Schistosoma mansoni hypothetical protein 0.0372 0.8028 0.9801
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0196 0.3281 0.3571
Schistosoma mansoni glutamate receptor kainate 0.0178 0.2784 0.3399
Schistosoma mansoni glutamate receptor kainate 0.0178 0.2784 0.3399
Echinococcus multilocularis survival motor neuron protein 1 0.0257 0.4919 0.5716
Loa Loa (eye worm) hypothetical protein 0.0445 1 1
Echinococcus multilocularis glutamate receptor 2 0.0196 0.3281 0.3571
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 1 0.5
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0196 0.3281 0.3571
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0196 0.3281 0.3571
Mycobacterium tuberculosis Possible penicillin-binding protein 0.025 0.473 0.5
Echinococcus granulosus geminin 0.0372 0.8028 0.9787
Schistosoma mansoni glutamate receptor NMDA 0.0291 0.5856 0.7149
Leishmania major C-8 sterol isomerase-like protein 0.0445 1 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0378 0.8191 1
Echinococcus multilocularis nmda type glutamate receptor 0.0114 0.1051 0.0651
Schistosoma mansoni glutamate receptor AMPA 0.0178 0.2784 0.3399
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0196 0.3281 0.3571
Echinococcus granulosus glutamate receptor 2 0.013 0.1503 0.1243
Echinococcus granulosus survival motor neuron protein 1 0.0257 0.4919 0.5716
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.0935 0.0935
Echinococcus multilocularis geminin 0.0372 0.8028 0.9787
Schistosoma mansoni glutamate receptor kainate 0.0178 0.2784 0.3399
Echinococcus granulosus nmda type glutamate receptor 0.0161 0.2332 0.2328
Echinococcus multilocularis glutamate receptor 2 0.013 0.1503 0.1243
Loa Loa (eye worm) glutamate receptor 1 0.0178 0.2784 0.2784

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM In vitro inhibitory activity against [3H]- (+)-3-PPP binding to Sigma opioid receptor in guinea pig brain membrane homogenates ChEMBL. 1975275
IC50 (binding) > 10000 nM In vitro inhibitory activity against [3H]-TCP binding to PCP receptor in guinea pig brain membrane homogenates ChEMBL. 1975275
IC50 (binding) > 100000 nM In vitro inhibitory activity against [3H]-DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates ChEMBL. 1975275

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.

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