Detailed information for compound 846633

Basic information

Technical information
  • TDR Targets ID: 846633
  • Name: (5E)-3-amino-5-[(4-nitrophenyl)methylidene]-2 -sulfanylidene-1,3-thiazolidin-4-one
  • MW: 281.311 | Formula: C10H7N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NN1C(=S)S/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1=O
  • InChi: 1S/C10H7N3O3S2/c11-12-9(14)8(18-10(12)17)5-6-1-3-7(4-2-6)13(15)16/h1-5H,11H2/b8-5+
  • InChiKey: CVCXAQTYHMLKTF-VMPITWQZSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (5E)-3-amino-5-[(4-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
  • (5E)-3-amino-5-[(4-nitrophenyl)methylene]-2-thioxo-4-thiazolidinone
  • (5E)-3-amino-5-(4-nitrobenzylidene)-2-thioxo-thiazolidin-4-one
  • ZINC01737730
  • BIM-0019519.P001
  • AIDS-163486
  • AIDS163486
  • 3-Amino-5-[(4-nitrophenyl)methylene]-2-thioxo-1,3-thiazolidin-4-one

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
Echinococcus granulosus roundabout 2 0.0083 0.0712 0.0712
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0083 0.0712 0.1021
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0107 0.4402 0.4402
Echinococcus granulosus neuroglian 0.0124 0.6972 0.6972
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0092 0.2086 0.1479
Schistosoma mansoni nephrin 0.0083 0.0712 0.1021
Schistosoma mansoni cell adhesion molecule 0.0083 0.0712 0.1021
Onchocerca volvulus Tyrosine kinase homolog 0.0092 0.2086 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Schistosoma mansoni septate junction protein 0.0083 0.0712 0.1021
Schistosoma mansoni cell adhesion molecule 0.0083 0.0712 0.1021
Echinococcus granulosus contactin 0.0083 0.0712 0.0712
Schistosoma mansoni cell adhesion molecule 0.0083 0.0712 0.1021
Loa Loa (eye worm) TK/ROR protein kinase 0.0092 0.2086 0.2086
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0083 0.0712 0.1021
Echinococcus multilocularis neuroglian 0.0124 0.6972 0.674
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Echinococcus granulosus lachesin 0.0083 0.0712 0.0712
Schistosoma mansoni roundabout 0.0083 0.0712 0.1021
Loa Loa (eye worm) hypothetical protein 0.0143 1 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0083 0.0712 0.0712
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Echinococcus granulosus roundabout 2 0.0083 0.0712 0.0712
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0083 0.0712 0.0712
Loa Loa (eye worm) hypothetical protein 0.0143 1 1
Schistosoma mansoni septate junction protein 0.0083 0.0712 0.1021
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Schistosoma mansoni titin 0.0083 0.0712 0.1021
Brugia malayi Immunoglobulin I-set domain containing protein 0.0107 0.4402 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0083 0.0712 0.0712
Schistosoma mansoni tyrosine kinase 0.0112 0.5114 0.7335
Echinococcus granulosus tyrosine protein kinase otk 0.0083 0.0712 0.0712
Schistosoma mansoni neuroglian 0.0083 0.0712 0.1021
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0083 0.0712 0.0712
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0083 0.0712 0.0712
Echinococcus granulosus hemicentin 1 0.0083 0.0712 0.0712
Echinococcus granulosus neuroglian 0.0083 0.0712 0.0712
Echinococcus granulosus twitchin 0.0124 0.6972 0.6972
Echinococcus granulosus peroxidasin 0.0083 0.0712 0.0712
Loa Loa (eye worm) TK protein kinase 0.0092 0.2086 0.2086
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0092 0.2086 0.2086
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.2086 0.3723
Echinococcus multilocularis roundabout 2 0.0143 1 1
Schistosoma mansoni nephrin 0.0124 0.6972 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712
Loa Loa (eye worm) hypothetical protein 0.0083 0.0712 0.0712

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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