Detailed information for compound 807552

Basic information

Technical information
  • TDR Targets ID: 807552
  • Name: (4E)-1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy -2-nitrophenyl)methylidene]pyrazolidine-3,5-d ione
  • MW: 438.218 | Formula: C18H13Cl2N3O6
  • H donors: 1 H acceptors: 4 LogP: 3.85 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc([N+](=O)[O-])c(cc1OC)C=C1C(=O)NN(C1=O)c1ccc(c(c1)Cl)Cl
  • InChi: 1S/C18H13Cl2N3O6/c1-28-15-6-9(14(23(26)27)8-16(15)29-2)5-11-17(24)21-22(18(11)25)10-3-4-12(19)13(20)7-10/h3-8H,1-2H3,(H,21,24)/b11-5+
  • InChiKey: IHQNWVQTFNKNTK-VZUCSPMQSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylidene]pyrazolidine-3,5-dione
  • (4E)-1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]pyrazolidine-3,5-dione
  • 1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylene]pyrazolidine-3,5-dione
  • (4E)-1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylene]pyrazolidine-3,5-dione
  • 1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitrophenyl)methylene]pyrazolidine-3,5-dione
  • (4E)-1-(3,4-dichlorophenyl)-4-(4,5-dimethoxy-2-nitro-benzylidene)pyrazolidine-3,5-quinone
  • 1-(3,4-dichlorophenyl)-4-(4,5-dimethoxy-2-nitro-benzylidene)pyrazolidine-3,5-quinone
  • (4E)-1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]pyrazolidine-3,5-dione
  • 1-(3,4-dichlorophenyl)-4-[(4,5-dimethoxy-2-nitro-phenyl)methylidene]pyrazolidine-3,5-dione
  • CBMicro_009169
  • BIM-0008986.P001

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 Macrophage migration inhibitory factor 0.0166 0.6068 0.5
Loa Loa (eye worm) glutaminase 0.0265 1 1
Echinococcus multilocularis musashi 0.0026 0.0484 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.0484 0.5
Onchocerca volvulus 0.0026 0.0484 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0484 0.0484
Leishmania major macrophage migration inhibitory factor-like protein 0.0166 0.6068 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0026 0.0465 0.0465
Echinococcus granulosus intermediate filament protein 0.0026 0.0484 0.5
Trichomonas vaginalis glutaminase, putative 0.0265 1 1
Schistosoma mansoni glutaminase 0.0265 1 1
Plasmodium falciparum macrophage migration inhibitory factor 0.0166 0.6068 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0484 0.0484
Leishmania major macrophage migration inhibitory factor-like protein 0.0166 0.6068 0.5
Echinococcus granulosus lamin 0.0026 0.0484 0.5
Onchocerca volvulus 0.0026 0.0484 0.5
Brugia malayi intermediate filament protein 0.0026 0.0484 0.0484
Echinococcus granulosus lamin dm0 0.0026 0.0484 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.2269 0.2269
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.2269 0.2269
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0166 0.6068 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0166 0.6068 0.5
Brugia malayi Bm-MIF-1, identical 0.0166 0.6068 0.6068
Mycobacterium ulcerans glutaminase 0.0265 1 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0166 0.6068 0.6068
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0166 0.6068 0.5
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0484 0.0484
Loa Loa (eye worm) glutaminase 2 0.0265 1 1
Echinococcus multilocularis lamin 0.0026 0.0484 0.5

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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