Detailed information for compound 234696

Basic information

Technical information
  • TDR Targets ID: 234696
  • Name: 2-(2,6-dichlorophenoxy)-5-nitrobenzonitrile
  • MW: 309.104 | Formula: C13H6Cl2N2O3
  • H donors: 0 H acceptors: 3 LogP: 4.25 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1cc(ccc1Oc1c(Cl)cccc1Cl)[N+](=O)[O-]
  • InChi: 1S/C13H6Cl2N2O3/c14-10-2-1-3-11(15)13(10)20-12-5-4-9(17(18)19)6-8(12)7-16/h1-6H
  • InChiKey: FTFFUZVVMFWVSE-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,6-dichlorophenoxy)-5-nitro-benzonitrile
  • 2-(2,6-dichlorophenoxy)-5-nitro-benzenecarbonitrile
  • 82674-07-5
  • AIDS-190825
  • AIDS190825
  • Benzonitrile, 2-(2,6-dichlorophenoxy)-5-nitro-

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 subfamily M12A unassigned peptidase (M12 family) 0.0151 0.6753 1
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0151 0.6753 1
Echinococcus multilocularis fibrillin 1 0.0151 0.6753 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0166 1 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.6753 1
Echinococcus granulosus Tolloid protein 1 0.0151 0.6753 1
Mycobacterium ulcerans thymidylate synthase 0.0118 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.6753 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0118 0 0.5
Echinococcus granulosus laminin 0.0151 0.6753 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0166 1 0.5
Brugia malayi Calcium binding EGF domain containing protein 0.0151 0.6753 1
Schistosoma mansoni egf-like domain protein 0.0151 0.6753 1
Onchocerca volvulus 0.0144 0.5263 0.7793
Loa Loa (eye worm) hypothetical protein 0.0144 0.5263 0.7793
Loa Loa (eye worm) hypothetical protein 0.0144 0.5263 0.7793
Loa Loa (eye worm) hypothetical protein 0.0151 0.6753 1
Echinococcus multilocularis laminin 0.0151 0.6753 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.6753 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0118 0 0.5
Brugia malayi Trypsin family protein 0.0144 0.5263 0.7793
Brugia malayi Fibulin-1 precursor 0.0151 0.6753 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0144 0.5263 0.7793
Onchocerca volvulus Arrow homolog 0.0151 0.6753 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0144 0.5263 0.7793
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0151 0.6753 1
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0151 0.6753 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0166 1 0.5
Echinococcus multilocularis Tolloid protein 1 0.0151 0.6753 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0166 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0151 0.6753 1
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0151 0.6753 1

Activities

Activity type Activity value Assay description Source Reference
MIC50 (functional) = 0.52 uM Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-2 ChEMBL. 3005578
MIC50 (functional) = 3.9 uM Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-1A ChEMBL. 3005578
MIC50 (functional) = 16.2 uM Lowest concentration to reduce viral effect by 50% or more against coxsackie virus A21 ChEMBL. 3005578
Relative activity (functional) = 0.8 Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtained in the same test for coxsackie A21 ChEMBL. 3005578
Relative activity (functional) = 5.3 Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtained in the same test for Rhinovirus (RV)-1A ChEMBL. 3005578
Relative activity (functional) = 25 Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtained in the same test for Rhinovirus (RV)-2 ChEMBL. 3005578
Toxicity (ADMET) > 65 uM Cytotoxicity concentration in HeLa cells ChEMBL. 3005578
Toxicity (ADMET) > 65 uM Cytotoxicity concentration in HeLa cells ChEMBL. 3005578

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.