Detailed information for compound 1033822

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 263.723 | Formula: C13H14ClN3O
  • H donors: 2 H acceptors: 1 LogP: 2.52 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C(/N1Cc2cccc3c2c(C1)ccc3)\N.Cl
  • InChi: 1S/C13H13N3O.ClH/c14-13(15-17)16-7-10-5-1-3-9-4-2-6-11(8-16)12(9)10;/h1-6,17H,7-8H2,(H2,14,15);1H
  • InChiKey: HWEWDADOCXLKRR-UHFFFAOYSA-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 integrin alpha-ps 0.0189 0.0559 0.0453
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0477 0.0021
Brugia malayi follicle stimulating hormone receptor 0.024 0.0882 0.0771
Echinococcus granulosus integrin beta 2 0.1231 0.7238 1
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0614 0.328 0.3198
Loa Loa (eye worm) integrin alpha pat-2 0.1251 0.7364 0.7332
Loa Loa (eye worm) hypothetical protein 0.0614 0.328 0.3198
Brugia malayi Kelch motif family protein 0.0253 0.0964 0.0854
Schistosoma mansoni integrin beta subunit 0.0979 0.5619 1
Schistosoma mansoni hypothetical protein 0.0174 0.0463 0.0271
Echinococcus granulosus integrin alpha ps 0.0364 0.1677 0.1792
Echinococcus multilocularis integrin alpha 3 0.0622 0.3333 0.4236
Schistosoma mansoni integrin alpha-ps 0.0364 0.1677 0.2562
Loa Loa (eye worm) hypothetical protein 0.0189 0.0559 0.0444
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0253 0.0964 0.0854
Loa Loa (eye worm) hypothetical protein 0.0253 0.0964 0.0854
Onchocerca volvulus 0.0102 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0177 0.0477 0.0361
Loa Loa (eye worm) hypothetical protein 0.0637 0.3429 0.3349
Echinococcus multilocularis integrin alpha ps 0.0364 0.1677 0.1792
Echinococcus multilocularis integrin beta 2 0.1231 0.7238 1
Loa Loa (eye worm) integrin beta-2 0.1662 1 1
Schistosoma mansoni integrin alpha 0.0811 0.4547 0.7977
Echinococcus granulosus lysosomal alpha glucosidase 0.0177 0.0477 0.0021
Loa Loa (eye worm) follicle stimulating hormone receptor 0.024 0.0882 0.0771
Echinococcus multilocularis integrin alpha ps 0.0364 0.1677 0.1792
Brugia malayi hypothetical protein 0.0253 0.0964 0.0854
Loa Loa (eye worm) hypothetical protein 0.0174 0.0463 0.0347
Echinococcus granulosus integrin alpha 3 0.0622 0.3333 0.4236
Loa Loa (eye worm) hypothetical protein 0.0448 0.2215 0.212
Echinococcus multilocularis lysosomal alpha glucosidase 0.0177 0.0477 0.0021
Brugia malayi Integrin alpha pat-2 precursor 0.0811 0.4547 0.4481
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0177 0.0477 0.0361

Activities

No activities found for this compound.

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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