Detailed information for compound 331501

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 314.405 | Formula: C16H18N4OS
  • H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1nn(c2c1c(=O)[nH]c(n2)C)c1c(C)cc(cc1C)C
  • InChi: 1S/C16H18N4OS/c1-8-6-9(2)13(10(3)7-8)20-14-12(16(19-20)22-5)15(21)18-11(4)17-14/h6-7H,1-5H3,(H,17,18,21)
  • InChiKey: PLSONVGVUJUDEK-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 ankyrin repeat and death domain containing protein 0.0137 0.0339 0.0472
Brugia malayi Uncoordinated protein 44 0.0137 0.0339 0.0237
Schistosoma mansoni hypothetical protein 0.0137 0.0339 0.9805
Echinococcus granulosus Ankyrin 0.0138 0.0346 0.0486
Loa Loa (eye worm) hypothetical protein 0.0138 0.0346 0.0007
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0137 0.0339 0.0472
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0138 0.0346 1
Echinococcus multilocularis netrin receptor unc 5 0.0137 0.0339 0.0472
Brugia malayi Death domain containing protein 0.0137 0.0339 0.0237
Brugia malayi Protein kinase domain containing protein 0.0137 0.0339 0.0237
Echinococcus granulosus death domain containing protein 0.0137 0.0339 0.0472
Echinococcus granulosus netrin receptor unc 5 0.0137 0.0339 0.0472
Onchocerca volvulus 0.1596 1 1
Echinococcus granulosus nuclear factor of activated T cells 5 0.085 0.5063 1
Schistosoma mansoni netrin receptor unc5 0.0137 0.0339 0.9805
Schistosoma mansoni ankyrin 23/unc44 0.0137 0.0339 0.9805
Echinococcus multilocularis nuclear factor of activated T cells 5 0.085 0.5063 1
Loa Loa (eye worm) hypothetical protein 0.1596 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0137 0.0339 0.0237
Echinococcus multilocularis Ankyrin 0.0138 0.0346 0.0486

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345
IC50 (binding) = 37 uM Inhibition of Cyclin-dependent kinase 4-cyclin D1 ChEMBL. 15537345

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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