Detailed information for compound 1801825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.228 | Formula: C17H16Cl2N2
  • H donors: 0 H acceptors: 0 LogP: 5.09 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(C)c2c(c1)CN1CN2Cc2c1c(C)cc(c2)Cl
  • InChi: 1S/C17H16Cl2N2/c1-10-3-14(18)5-12-7-21-9-20(16(10)12)8-13-6-15(19)4-11(2)17(13)21/h3-6H,7-9H2,1-2H3
  • InChiKey: BDNRRBLJHVDDGM-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
Giardia lamblia Hypothetical protein 0.0023 0.0025 0.5
Loa Loa (eye worm) lipase 0.0023 0.0025 0.0025
Trypanosoma brucei lipase domain protein, putative 0.1189 1 1
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Trypanosoma brucei lipase-like protein, putative 0.0023 0.0025 0.0025
Onchocerca volvulus 0.1189 1 1
Plasmodium falciparum lipase, putative 0.0023 0.0025 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Giardia lamblia hypothetical protein 0.0023 0.0025 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0089 0.0089
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.1189 1 1
Plasmodium vivax hypothetical protein, conserved 0.0023 0.0025 0.5
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Leishmania major hypothetical protein, conserved 0.0023 0.0025 0.0025
Leishmania major class 3 lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase domain protein, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase domain protein, putative 0.0023 0.0025 0.0025
Entamoeba histolytica lipase, putative 0.0023 0.0025 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Toxoplasma gondii lipase 0.0023 0.0025 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Leishmania major hypothetical protein, conserved 0.0023 0.0025 0.0025
Trypanosoma brucei lipase domain protein, putative 0.1189 1 1
Toxoplasma gondii lipase 0.0023 0.0025 0.5
Loa Loa (eye worm) lipase 0.1189 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0025 0.0025
Leishmania major lipase, putative 0.0023 0.0025 0.0025
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.1189 1 1
Leishmania major lipase precursor-like protein 0.0023 0.0025 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.1189 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0025 0.0025
Loa Loa (eye worm) lipase 0.0023 0.0025 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.1189 1 1
Brugia malayi Lipase family protein 0.0023 0.0025 0.0025
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.002 0 0.5
Toxoplasma gondii lipase 0.0023 0.0025 0.5
Leishmania major hypothetical protein, conserved 0.1189 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0025 0.0025
Toxoplasma gondii lipase 0.0023 0.0025 0.5
Giardia lamblia hypothetical protein 0.0023 0.0025 0.5
Trichomonas vaginalis lipase containing protein, putative 0.1189 1 1
Trypanosoma brucei lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Brugia malayi Lipase family protein 0.0023 0.0025 0.0025
Entamoeba histolytica lipase, putative 0.0023 0.0025 0.5
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Leishmania major hypothetical protein, unknown function 0.0023 0.0025 0.0025
Leishmania major hypothetical protein, conserved 0.0023 0.0025 0.0025
Trypanosoma cruzi Triglyceride lipase, putative 0.0023 0.0025 0.0025
Leishmania major hypothetical protein, unknown function 0.0023 0.0025 0.0025
Trypanosoma brucei Triglyceride lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Giardia lamblia Hypothetical protein 0.0023 0.0025 0.5
Trypanosoma brucei triacylglycerol lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase-like protein, putative 0.0023 0.0025 0.0025
Entamoeba histolytica lipase, putative 0.0023 0.0025 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.0025 0.0025
Trypanosoma brucei Triglyceride lipase, putative 0.0023 0.0025 0.0025
Trypanosoma brucei Lipase (class 3), putative 0.0023 0.0025 0.0025
Leishmania major lipase, putative;with=GeneDB:LinJ31_V3.0860 0.0023 0.0025 0.0025
Brugia malayi Lipase family protein 0.0023 0.0025 0.0025
Trypanosoma cruzi Lipase (class 3), putative 0.0023 0.0025 0.0025
Trichomonas vaginalis lipase containing protein, putative 0.1189 1 1
Brugia malayi Lipase family protein 0.0023 0.0025 0.0025
Trypanosoma cruzi lipase, putative 0.0023 0.0025 0.0025
Entamoeba histolytica hypothetical protein 0.0023 0.0025 0.5
Entamoeba histolytica lipase, putative 0.0023 0.0025 0.5
Giardia lamblia Hypothetical protein 0.0023 0.0025 0.5
Trypanosoma brucei lipase domain protein, putative 0.0023 0.0025 0.0025
Leishmania major lipase domain protein, putative 0.0023 0.0025 0.0025
Brugia malayi Cytochrome P450 family protein 0.003 0.0089 0.0089
Schistosoma mansoni lipase 0.0023 0.0025 0.5

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 8 mm Antifungal activity against Candida albicans at 250 ug/ml after 72 hrs by disc diffusion method ChEMBL. No reference
IZ (functional) = 8 mm Antibacterial activity against Escherichia coli at 250 ug/ml after 24 to 45 hrs by disc diffusion method 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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