Detailed information for compound 1478267

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 520.665 | Formula: C24H32N4O5S2
  • H donors: 2 H acceptors: 4 LogP: 2.46 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(N1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCO1)C)C
  • InChi: 1S/C24H32N4O5S2/c1-15(2)28-11-10-19-20(14-28)34-24(21(19)22(25)29)26-23(30)16-6-8-18(9-7-16)35(31,32)27(3)13-17-5-4-12-33-17/h6-9,15,17H,4-5,10-14H2,1-3H3,(H2,25,29)(H,26,30)
  • InChiKey: GRGRPDIBGVHZCK-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
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0267 1 0.5
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0221 0.7059 0.7059
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0204 0.6012 0.6012
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Plasmodium vivax casein kinase II beta chain, putative 0.0267 1 0.5
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0267 1 1
Schistosoma mansoni casein kinase II beta subunit 0.0267 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0204 0.6012 0.6012
Plasmodium falciparum casein kinase II beta chain 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Loa Loa (eye worm) Csnk2b protein 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0216 0.6748 0.6748
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0267 1 1
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0267 1 0.5
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Brugia malayi nuclear hormone receptor 0.0221 0.7059 0.7059
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0204 0.6012 0.6012
Toxoplasma gondii ck2 beta subunit 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0267 1 0.5
Echinococcus granulosus casein kinase ii subunit beta 0.0267 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0204 0.6012 0.6012
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Giardia lamblia Casein kinase II beta chain 0.0267 1 0.5
Echinococcus granulosus carbonic anhydrase II 0.0204 0.6012 0.6012
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0267 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0204 0.6012 0.6012
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0204 0.6012 0.6012
Loa Loa (eye worm) carbonic anhydrase 3 0.0204 0.6012 0.6012
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Plasmodium falciparum casein kinase II beta chain 0.0267 1 1
Plasmodium vivax casein kinase II beta chain, putative 0.0267 1 0.5
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Echinococcus multilocularis casein kinase ii subunit beta 0.0267 1 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 0.5
Trichomonas vaginalis casein kinase II beta chain, putative 0.0267 1 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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