Detailed information for compound 312193

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 222.115 | Formula: C8H13Cl2N3--
  • H donors: 2 H acceptors: 1 LogP: 2.21 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1cnccc1CN.[Cl-].[Cl-]
  • InChi: 1S/C8H13N3.2ClH/c1-2-11-8-6-10-4-3-7(8)5-9;;/h3-4,6,11H,2,5,9H2,1H3;2*1H/p-2
  • InChiKey: XGTDVUIFVUXUQZ-UHFFFAOYSA-L  


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
Brugia malayi RNA recognition motif domain containing protein 0.0391 0.3981 1
Echinococcus multilocularis tar DNA binding protein 0.0391 0.3981 0.187
Echinococcus granulosus tar DNA binding protein 0.0391 0.3981 0.187
Loa Loa (eye worm) TAR-binding protein 0.0391 0.3981 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Echinococcus multilocularis tumor protein p63 0.036 0.3452 0.1154
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Brugia malayi TAR-binding protein 0.0391 0.3981 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Toxoplasma gondii hypothetical protein 0.0156 0 0.5
Echinococcus granulosus tumor protein p63 0.036 0.3452 0.1154
Loa Loa (eye worm) RNA binding protein 0.0391 0.3981 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0391 0.3981 1
Schistosoma mansoni microtubule-associated protein tau 0.0746 1 1
Schistosoma mansoni tar DNA-binding protein 0.0391 0.3981 0.187
Echinococcus multilocularis microtubule associated protein 2 0.0746 1 1
Brugia malayi RNA binding protein 0.0391 0.3981 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.0000005 M Inhibition of putrescine binding to against Diamine oxidase of porcine kidney ChEMBL. 15689151
IC50 (binding) = 0.000002 M Inhibition of benzylamine binding to Benzylamine oxidase of porcine serum ChEMBL. 15689151
IC50 (binding) = 0.0000093 M Inhibition of putrescine binding to Pea seedling amine oxidase ChEMBL. 15689151
IC50 (binding) = 0.000087 M Inhibition of beta-phenylethylamine binding to Hansenula polymorpha amine oxidase ChEMBL. 15689151
IC50 (binding) > 0.00017 M Inhibitory concentration for rat liver Monoamine oxidase B using beta-phenylethylamine ChEMBL. 15689151
IC50 (binding) = 0.0003 M Inhibitory concentration for rat liver Monoamine oxidase A using 5-hydroxytryptamine ChEMBL. 15689151

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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