Detailed information for compound 655976

Basic information

Technical information
  • TDR Targets ID: 655976
  • Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophen oxy)acetamide
  • MW: 330.292 | Formula: C16H14N2O6
  • H donors: 1 H acceptors: 3 LogP: 2.37 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1ccc2c(c1)OCO2)COc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C16H14N2O6/c19-16(9-22-13-4-2-12(3-5-13)18(20)21)17-8-11-1-6-14-15(7-11)24-10-23-14/h1-7H,8-10H2,(H,17,19)
  • InChiKey: USUJAGPAVUHXRM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1,3-benzodioxol-5-ylmethyl)-2-(4-nitrophenoxy)ethanamide
  • ZINC00035184
  • ST051404
  • Oprea1_164018

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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Schistosoma mansoni tar DNA-binding protein 0.0069 0.512 0.4832
Loa Loa (eye worm) hypothetical protein 0.0067 0.4881 0.4823
Echinococcus multilocularis transient receptor potential gamma protein 0.0106 0.8504 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0103 0.8179 0.9591
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.4949 0.4899
Loa Loa (eye worm) hypothetical protein 0.0031 0.1626 0.1192
Loa Loa (eye worm) hypothetical protein 0.0036 0.206 0.1677
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Schistosoma mansoni hypothetical protein 0.0031 0.1626 0.1132
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Echinococcus granulosus short transient receptor potential channel 6 0.007 0.5206 0.5849
Leishmania major trypanothione reductase 0.0038 0.2271 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.512 0.509
Trypanosoma brucei unspecified product 0.002 0.0557 0.2453
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Echinococcus multilocularis GPCR, family 2 0.0031 0.1626 0.1345
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0038 0.2271 0.2413
Brugia malayi Thioredoxin reductase 0.0038 0.2271 0.1912
Echinococcus multilocularis short transient receptor potential channel 6 0.007 0.5206 0.5849
Schistosoma mansoni transient receptor potential channel 4 0.0106 0.8504 0.8416
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0557 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0039 0.2318 0.2216
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0557 0.2453
Trypanosoma cruzi trypanothione reductase, putative 0.0038 0.2271 1
Loa Loa (eye worm) RNA binding protein 0.0069 0.512 0.509
Schistosoma mansoni tar DNA-binding protein 0.0069 0.512 0.4832
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0087 0.6767 0.8742
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0557 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1626 0.1345
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0557 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0557 0.2453
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.9522 1
Brugia malayi TAR-binding protein 0.0069 0.512 0.509
Plasmodium vivax glutathione reductase, putative 0.0038 0.2271 0.5
Mycobacterium tuberculosis Probable reductase 0.0087 0.6767 0.8742
Echinococcus granulosus TRP transient receptor potential channel 0.0039 0.2385 0.23
Schistosoma mansoni hypothetical protein 0.0031 0.1626 0.1132
Brugia malayi RNA binding protein 0.0069 0.512 0.509
Loa Loa (eye worm) hypothetical protein 0.0039 0.2385 0.2039
Schistosoma mansoni tar DNA-binding protein 0.0069 0.512 0.4832
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0557 0.2453
Plasmodium vivax thioredoxin reductase, putative 0.0038 0.2271 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.9522 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.7813 0.8094
Loa Loa (eye worm) glutathione reductase 0.0038 0.2271 0.1912
Echinococcus multilocularis thioredoxin glutathione reductase 0.0039 0.2318 0.2216
Echinococcus granulosus transient receptor potential gamma protein 0.0106 0.8504 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1626 0.1192
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0039 0.2385 0.23
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0557 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0038 0.2271 0.1912
Echinococcus granulosus short transient receptor potential channel 6 0.007 0.5206 0.5849
Mycobacterium tuberculosis Probable dehydrogenase 0.0087 0.6767 0.8742
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.7813 0.8094
Schistosoma mansoni transient receptor potential channel 0.007 0.5206 0.4923
Loa Loa (eye worm) hypothetical protein 0.0106 0.8504 0.8865
Schistosoma mansoni hypothetical protein 0.0031 0.1626 0.1132
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0087 0.6767 0.8742
Mycobacterium tuberculosis Probable oxidoreductase 0.0097 0.766 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1626 0.1345
Schistosoma mansoni tar DNA-binding protein 0.0069 0.512 0.4832
Giardia lamblia DINP protein human, muc B family 0.002 0.0557 0.5
Plasmodium falciparum glutathione reductase 0.0038 0.2271 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0557 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0557 0.2453
Schistosoma mansoni hypothetical protein 0.0067 0.4949 0.4651
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0097 0.766 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Plasmodium falciparum thioredoxin reductase 0.0038 0.2271 0.5
Schistosoma mansoni hypothetical protein 0.0031 0.1626 0.1132
Brugia malayi Transient-receptor-potential like protein 0.0039 0.2385 0.2039
Brugia malayi glutathione reductase 0.0038 0.2271 0.1912
Loa Loa (eye worm) hypothetical protein 0.0067 0.4949 0.4899
Echinococcus multilocularis short transient receptor potential channel 6 0.007 0.5206 0.5849
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.7813 0.8094
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.512 0.509
Echinococcus granulosus tar DNA binding protein 0.0069 0.512 0.5742
Schistosoma mansoni transient receptor potential channel 0.0106 0.8504 0.8416
Loa Loa (eye worm) TAR-binding protein 0.0069 0.512 0.509
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0097 0.766 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0087 0.6767 0.8742
Echinococcus granulosus GPCR family 2 0.0031 0.1626 0.1345
Schistosoma mansoni transient receptor potential channel 0.007 0.5206 0.4923
Toxoplasma gondii thioredoxin reductase 0.0038 0.2271 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1626 0.1192
Trypanosoma brucei trypanothione reductase 0.0038 0.2271 1
Echinococcus multilocularis tar DNA binding protein 0.0069 0.512 0.5742
Echinococcus granulosus transient receptor potential ion channel A 0.0103 0.8179 0.9591
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.9522 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1626 0.1345
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1626 0.1345
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1626 0.1192
Schistosoma mansoni tar DNA-binding protein 0.0069 0.512 0.4832
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0557 0.2453
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0087 0.6767 0.8742
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0097 0.766 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.7813 0.8094

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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