Detailed information for compound 1707971

Basic information

Technical information
  • TDR Targets ID: 1707971
  • Name: phenylmethyl N-[3-(2-chloro-4-nitrophenoxy)pr opyl]carbamate
  • MW: 364.78 | Formula: C17H17ClN2O5
  • H donors: 1 H acceptors: 3 LogP: 3.92 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(OCc1ccccc1)NCCCOc1ccc(cc1Cl)[N+](=O)[O-]
  • InChi: 1S/C17H17ClN2O5/c18-15-11-14(20(22)23)7-8-16(15)24-10-4-9-19-17(21)25-12-13-5-2-1-3-6-13/h1-3,5-8,11H,4,9-10,12H2,(H,19,21)
  • InChiKey: JUDKZCIMKLYXNM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • phenylmethyl N-[3-(2-chloro-4-nitro-phenoxy)propyl]carbamate
  • N-[3-(2-chloro-4-nitrophenoxy)propyl]carbamic acid phenylmethyl ester
  • N-[3-(2-chloro-4-nitro-phenoxy)propyl]carbamic acid benzyl ester
  • 25313-19-3
  • NSC123515

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0 0.5
Leishmania major potassium channel subunit-like protein 0.004 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.004 0 0.5
Onchocerca volvulus 0.004 0 0.5
Trypanosoma cruzi ion transport protein, putative 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0629 0.936 0.936
Loa Loa (eye worm) hypothetical protein 0.067 1 1
Trypanosoma cruzi ion transport protein, putative 0.004 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0575 0.0575
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.004 0 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.004 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.0575 0.0575
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0575 0.0575
Plasmodium vivax potassium channel, putative 0.004 0 0.5
Leishmania major ion transport protein-like protein 0.004 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.0575 0.0575
Onchocerca volvulus 0.004 0 0.5
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.004 0 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0575 0.0575
Onchocerca volvulus 0.004 0 0.5
Giardia lamblia Hypothetical protein 0.004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0 0.5
Toxoplasma gondii ion channel protein 0.004 0 0.5
Mycobacterium ulcerans transmembrane cation transporter 0.004 0 0.5
Leishmania major hypothetical protein, conserved 0.004 0 0.5
Schistosoma mansoni twik family of potassium channels-related 0.067 1 1
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.004 0 0.5
Loa Loa (eye worm) hypothetical protein 0.067 1 1
Brugia malayi RNA binding protein 0.0076 0.0575 0.0575
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0575 0.0575
Brugia malayi TAR-binding protein 0.0076 0.0575 0.0575
Onchocerca volvulus 0.004 0 0.5
Onchocerca volvulus 0.004 0 0.5
Echinococcus granulosus Two pore potassium channel protein sup 9 0.067 1 1
Onchocerca volvulus 0.004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0 0.5
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.004 0 0.5
Plasmodium falciparum potassium channel 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0575 0.0575
Leishmania major hypothetical protein, conserved 0.004 0 0.5
Plasmodium vivax potassium channel, putative 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0575 0.0575
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.004 0 0.5
Mycobacterium ulcerans ion transport protein 0.004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.004 0 0.5
Toxoplasma gondii ion channel protein 0.004 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0575 0.0575
Trypanosoma brucei calcium-activated potassium channel, putative 0.004 0 0.5
Onchocerca volvulus 0.004 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0575 0.0575
Trypanosoma cruzi hypothetical protein, conserved 0.004 0 0.5
Plasmodium falciparum potassium channel 0.004 0 0.5
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.067 1 1
Onchocerca volvulus 0.004 0 0.5
Leishmania major calcium/potassium channel (CAKC), putative 0.004 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0575 0.0575

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0067 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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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