Detailed information for compound 1634169

Basic information

Technical information
  • TDR Targets ID: 1634169
  • Name: (3Z)-N-(3,4-dichlorophenyl)-3-[(2-pyridin-1-i um-1-ylacetyl)hydrazinylidene]butanamide
  • MW: 380.248 | Formula: C17H17Cl2N4O2+
  • H donors: 2 H acceptors: 2 LogP: 2.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C/C(=N\NC(=O)C[n+]1ccccc1)/C)Nc1ccc(c(c1)Cl)Cl
  • InChi: 1S/C17H16Cl2N4O2/c1-12(21-22-17(25)11-23-7-3-2-4-8-23)9-16(24)20-13-5-6-14(18)15(19)10-13/h2-8,10H,9,11H2,1H3,(H-,20,22,24,25)/p+1/b21-12-
  • InChiKey: YLIFYQBWKRNFFU-MTJSOVHGSA-O  

Network

Hover on a compound node to display the structore

Synonyms

  • (3Z)-N-(3,4-dichlorophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]butanamide
  • (3Z)-N-(3,4-dichlorophenyl)-3-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]hydrazono]butanamide
  • (3Z)-N-(3,4-dichlorophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]butyramide
  • (3Z)-N-(3,4-dichlorophenyl)-3-(2-pyridin-1-ium-1-ylethanoylhydrazinylidene)butanamide

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 0.0205 0.021 0.021
Echinococcus granulosus sodium:potassium:calcium exchanger 6 0.0205 0.021 0.021
Schistosoma mansoni alpha-glucosidase 0.0136 0.0125 0.0125
Treponema pallidum hypothetical protein 0.0205 0.021 0.5
Schistosoma mansoni hypothetical protein 0.0164 0.016 0.016
Schistosoma mansoni hypothetical protein 0.0205 0.021 0.021
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.021 0.1216
Loa Loa (eye worm) solute carrier family 8 0.8134 1 1
Loa Loa (eye worm) Na/Ca eXchangers family member 0.0205 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.3254 0.3974 0.3974
Schistosoma mansoni alpha-glucosidase 0.0136 0.0125 0.0125
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0152 0.0152
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.0152 0.0152
Trypanosoma brucei glucosidase, putative 0.0035 0 0.5
Mycobacterium tuberculosis Probable ionic transporter integral membrane protein ChaA 0.0205 0.021 0.5
Plasmodium vivax cation/H+ antiporter, putative 0.0205 0.021 0.5
Loa Loa (eye worm) hypothetical protein 0.0205 0.021 0.021
Schistosoma mansoni na/ca exchanger 0.0205 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0205 0.021 0.021
Mycobacterium leprae Probable ionic transporter integral membrane protein ChaA 0.0205 0.021 0.5
Echinococcus multilocularis sodium:potassium:calcium exchanger 0.0205 0.021 0.021
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0205 0.021 0.021
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0 0.5
Schistosoma mansoni potassium-dependent sodium-calcium exchanger 3 4 0.0205 0.021 0.021
Echinococcus granulosus geminin 0.0164 0.016 0.016
Leishmania major alpha glucosidase II subunit, putative 0.0035 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0175 0.0173 0.0173
Brugia malayi K+-dependent Na+/Ca+ exchanger related-protein 0.0205 0.021 0.0529
Onchocerca volvulus Sodium\/potassium\/calcium exchanger 0.0205 0.021 1
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.021 0.1216
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.0173 0.7347
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0164 0.016 0.016
Echinococcus granulosus sodium:potassium:calcium exchanger 0.0205 0.021 0.021
Brugia malayi Na/Ca eXchangers family member (ncx-4) 0.0205 0.021 0.0529
Brugia malayi N-terminal motif family protein 0.0175 0.0173 0.0435
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1435 0.1728 1
Echinococcus multilocularis geminin 0.0164 0.016 0.016
Schistosoma mansoni sodium/calcium exchanger 0.8134 1 1
Echinococcus multilocularis sodium calcium exchanger 0.8134 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.0152 0.0152
Brugia malayi Sodium/calcium exchanger protein 0.3254 0.3974 1
Plasmodium falciparum cation/H+ antiporter 0.0205 0.021 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.0152 0.0382
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.1435 0.1728 1
Toxoplasma gondii manganese resistance 1 protein, putative 0.0205 0.021 1
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.021 0.1216
Echinococcus multilocularis sodium:potassium:calcium exchanger 6 0.0205 0.021 0.021
Entamoeba histolytica sodium/calcium exchanger protein, putative 0.0205 0.021 1

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.

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