Detailed information for compound 1821772

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.466 | Formula: C26H33Cl2N3
  • H donors: 0 H acceptors: 0 LogP: 7.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c1cc(Cl)ccc1n2CCCN1CCN(CC1)CC1CCCCC1
  • InChi: 1S/C26H33Cl2N3/c27-21-7-9-25-23(17-21)24-18-22(28)8-10-26(24)31(25)12-4-11-29-13-15-30(16-14-29)19-20-5-2-1-3-6-20/h7-10,17-18,20H,1-6,11-16,19H2
  • InChiKey: ATJWYCCWSMBFIB-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 0.0075 0.1289 0.1289
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.0455 0.0455
Trichomonas vaginalis conserved hypothetical protein 0.0075 0.1289 0.113
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0426 0.0426
Loa Loa (eye worm) SPRY domain-containing protein 0.004 0.0179 0.0179
Echinococcus granulosus histone acetyltransferase KAT2B 0.016 0.4011 0.4011
Loa Loa (eye worm) jmjC domain-containing protein 0.0041 0.0229 0.0229
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.0455 1
Echinococcus granulosus tar DNA binding protein 0.0072 0.1205 0.1205
Echinococcus multilocularis wd40 repeat 0.0075 0.1289 0.1289
Brugia malayi Hypothetical WD-repeat protein F21H12.1 in chromosome II 0.0075 0.1289 0.1289
Toxoplasma gondii SPRY domain-containing protein 0.004 0.0179 0.3943
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0289 0.635
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.1158 0.1158
Echinococcus multilocularis protein will die slowly 0.0348 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0072 0.1205 0.1205
Schistosoma mansoni trithorax protein ash2 0.0043 0.0289 0.0289
Trichomonas vaginalis WD repeat domain, putative 0.0348 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.0455 0.0281
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0289 0.0111
Echinococcus multilocularis lysine specific demethylase 5A 0.0041 0.0229 0.0229
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0229 0.0229
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.3233 0.3233
Echinococcus granulosus lysine specific demethylase 5A 0.0041 0.0229 0.0229
Brugia malayi RNA binding protein 0.0072 0.1205 0.1205
Brugia malayi MH2 domain containing protein 0.0136 0.3233 0.3233
Echinococcus granulosus peregrin 0.0038 0.0129 0.0129
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1205 0.1205
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1205 0.1205
Echinococcus granulosus set1:ash2 histone methyltransferase complex 0.0043 0.0289 0.0289
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.3233 0.3233
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1205 0.1205
Echinococcus multilocularis set1:ash2 histone methyltransferase complex 0.0043 0.0289 0.0289
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.0455 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0041 0.0229 0.0229
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1205 0.1205
Loa Loa (eye worm) RNA binding protein 0.0072 0.1205 0.1205
Echinococcus granulosus protein will die slowly 0.0348 1 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.0455 0.0281
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.0455 1
Schistosoma mansoni tar DNA-binding protein 0.0072 0.1205 0.1205
Echinococcus granulosus wd40 repeat 0.0075 0.1289 0.1289
Schistosoma mansoni hypothetical protein 0.0348 1 1
Brugia malayi TAR-binding protein 0.0072 0.1205 0.1205
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0289 0.0111
Brugia malayi Bromodomain containing protein 0.0038 0.0129 0.0129
Loa Loa (eye worm) WD40 repeat protein 0.0348 1 1
Brugia malayi jmjC domain containing protein 0.0041 0.0229 0.0229
Onchocerca volvulus 0.0348 1 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0165 0.4158 0.4158
Plasmodium falciparum SPRY domain, putative 0.0043 0.0289 0.885
Loa Loa (eye worm) TAR-binding protein 0.0072 0.1205 0.1205
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0112 0.2475 0.2475
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0112 0.2475 0.2475
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0165 0.4158 0.4158
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.0326 0.5
Brugia malayi SPRY domain containing protein 0.0043 0.0289 0.0289
Loa Loa (eye worm) acetyltransferase 0.0165 0.4158 0.4158
Trichomonas vaginalis retinoblastoma binding protein, putative 0.0075 0.1289 0.113
Brugia malayi jmjC domain containing protein 0.0112 0.2475 0.2475
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.0326 1
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0426 0.0426
Echinococcus multilocularis peregrin 0.0038 0.0129 0.0129
Loa Loa (eye worm) SPRY domain-containing protein 0.0043 0.0289 0.0289
Echinococcus multilocularis tar DNA binding protein 0.0072 0.1205 0.1205
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.0326 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0777 0.0777
Schistosoma mansoni retinoblastoma binding protein 0.0075 0.1289 0.1289
Schistosoma mansoni jumonji domain containing protein 0.0089 0.1743 0.1743
Brugia malayi acetyltransferase, GNAT family protein 0.0165 0.4158 0.4158
Brugia malayi RNA recognition motif domain containing protein 0.0072 0.1205 0.1205

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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