Detailed information for compound 1899288

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 290.229 | Formula: C14H21Cl2NO
  • H donors: 2 H acceptors: 1 LogP: 3.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(N[C@H]([C@@H](c1ccc(c(c1)Cl)Cl)O)C)(C)C
  • InChi: 1S/C14H21Cl2NO/c1-5-14(3,4)17-9(2)13(18)10-6-7-11(15)12(16)8-10/h6-9,13,17-18H,5H2,1-4H3/t9-,13-/m0/s1
  • InChiKey: ZUVDVUBYPVXLLW-ZANVPECISA-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
Leishmania major extracellular receptor, putative 0.00342463 0.0546435 0.5
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.00502389 0.187404 0.547194
Loa Loa (eye worm) hypothetical protein 0.00358092 0.0676177 0.0534752
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.00502389 0.187404 0.547194
Onchocerca volvulus 0.00388511 0.0928701 0.157558
Toxoplasma gondii aspartyl protease ASP1 0.00502389 0.187404 0.5
Brugia malayi Receptor family ligand binding region containing protein 0.00634729 0.297263 1
Plasmodium falciparum plasmepsin IV 0.00502389 0.187404 0.5
Schistosoma mansoni tyrosine kinase 0.00358092 0.0676177 0.0137241
Plasmodium falciparum plasmepsin VI 0.00502389 0.187404 0.5
Loa Loa (eye worm) RGC/RGC protein kinase 0.00388511 0.0928701 0.157558
Echinococcus granulosus atrial natriuretic peptide receptor 0.0058868 0.259037 0.842442
Echinococcus multilocularis tyrosine kinase 0.00358092 0.0676177 0.0534752
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.00502389 0.187404 0.140434
Brugia malayi Guanylyl cyclase protein 23 0.00388511 0.0928701 0.157558
Plasmodium falciparum plasmepsin II 0.00502389 0.187404 0.5
Plasmodium vivax plasmepsin IV, putative 0.00502389 0.187404 0.5
Schistosoma mansoni protein kinase 0.00634729 0.297263 0.256644
Trypanosoma cruzi extracellular receptor, putative 0.00342463 0.0546435 0.5
Plasmodium vivax aspartyl proteinase, putative 0.00502389 0.187404 0.5
Echinococcus granulosus tyrosine kinase 0.00358092 0.0676177 0.0534752
Schistosoma mansoni cathepsin D (A01 family) 0.0148127 1 1
Mycobacterium ulcerans adenylylate/guanylate cyclase 0.00276637 0 0.5
Plasmodium falciparum plasmepsin I 0.00502389 0.187404 0.5
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.00502389 0.187404 0.5
Echinococcus multilocularis atrial natriuretic peptide receptor 0.0058868 0.259037 0.842442
Loa Loa (eye worm) RGC/RGC protein kinase 0.00634729 0.297263 1
Entamoeba histolytica hypothetical protein 0.00342463 0.0546435 0.5
Schistosoma mansoni tyrosine kinase 0.00358092 0.0676177 0.0137241
Loa Loa (eye worm) aspartic protease BmAsp-2 0.00502389 0.187404 0.547194
Loa Loa (eye worm) hypothetical protein 0.00502389 0.187404 0.547194
Echinococcus multilocularis receptor type guanylyl cyclase 0.00634729 0.297263 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.00502389 0.187404 0.5
Echinococcus granulosus receptor type guanylyl cyclase 0.00634729 0.297263 1
Loa Loa (eye worm) RGC/RGC protein kinase 0.00634729 0.297263 1
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.00634729 0.297263 1
Schistosoma mansoni cathepsin D (A01 family) 0.0148127 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.9 uM Antiplasmodial activity against ring stage Plasmodium falciparum 3D7A infected in erythrocytes incubated for 24 hrs prior to [3H]hypoxanthine incorporation measured after 24 hrs ChEMBL. 24944739

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 24944739

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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