Detailed information for compound 1052390

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 446.326 | Formula: C22H21Cl2N3O3
  • H donors: 0 H acceptors: 1 LogP: 4.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)c1occ(n1)CN1CCN(CC1)Cc1ccc2c(c1)OCO2
  • InChi: 1S/C22H21Cl2N3O3/c23-16-2-3-18(19(24)10-16)22-25-17(13-28-22)12-27-7-5-26(6-8-27)11-15-1-4-20-21(9-15)30-14-29-20/h1-4,9-10,13H,5-8,11-12,14H2
  • InChiKey: CUAVEDMDHZUUGW-UHFFFAOYSA-N  


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
Loa Loa (eye worm) hypothetical protein 0.0053 0.2196 0.2196
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.293 0.293
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0341 0.0341
Echinococcus granulosus tar DNA binding protein 0.0067 0.293 0.3366
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0341 0.0392
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2196 0.2196
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1337 0.1337
Schistosoma mansoni hypothetical protein 0.0181 0.8706 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.293 0.3366
Schistosoma mansoni hypothetical protein 0.0181 0.8706 1
Schistosoma mansoni hypothetical protein 0.0017 0.0341 0.0392
Brugia malayi RNA binding protein 0.0067 0.293 0.293
Loa Loa (eye worm) hypothetical protein 0.0206 1 1
Echinococcus multilocularis tar DNA binding protein 0.0067 0.293 0.3366
Loa Loa (eye worm) TAR-binding protein 0.0067 0.293 0.293
Echinococcus multilocularis GPCR, family 2 0.0017 0.0341 0.0392
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0341 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0067 0.293 0.3366
Schistosoma mansoni hypothetical protein 0.0036 0.1337 0.1536
Loa Loa (eye worm) hypothetical protein 0.0036 0.1337 0.1337
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2196 0.2196
Schistosoma mansoni hypothetical protein 0.0017 0.0341 0.0392
Echinococcus multilocularis geminin 0.0181 0.8706 1
Brugia malayi TAR-binding protein 0.0067 0.293 0.293
Schistosoma mansoni tar DNA-binding protein 0.0067 0.293 0.3366
Loa Loa (eye worm) hypothetical protein 0.0017 0.0341 0.0341
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0341 0.0392
Echinococcus granulosus GPCR family 2 0.0017 0.0341 0.0392
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0341 0.0341
Loa Loa (eye worm) RNA binding protein 0.0067 0.293 0.293
Schistosoma mansoni hypothetical protein 0.0017 0.0341 0.0392
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.293 0.293
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2196 0.2196
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0341 0.0341
Toxoplasma gondii hypothetical protein 0.001 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.293 0.3366
Schistosoma mansoni hypothetical protein 0.0017 0.0341 0.0392
Echinococcus granulosus geminin 0.0181 0.8706 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.293 0.3366
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0341 0.0392
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 15 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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