Detailed information for compound 820783

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 533.639 | Formula: C29H31N3O5S
  • H donors: 0 H acceptors: 4 LogP: 4.15 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccncc1)Cc1cccc(c1)OCCCc1ccncc1
  • InChi: 1S/C29H31N3O5S/c1-35-28-9-8-27(20-29(28)36-2)38(33,34)32(21-24-12-16-31-17-13-24)22-25-5-3-7-26(19-25)37-18-4-6-23-10-14-30-15-11-23/h3,5,7-17,19-20H,4,6,18,21-22H2,1-2H3
  • InChiKey: NPMHAWJYQDNPQQ-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 cAMP specific 3'5' cyclic phosphodiesterase 0.0107 0.1635 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0328 1 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1797 0.2802
Brugia malayi latrophilin 2 splice variant baaae 0.0076 0.0454 0.0707
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0107 0.1635 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0112 0.1797 0.2802
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0112 0.1797 0.2802
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0328 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0112 0.1797 0.2802
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.3632 0.5
Trichomonas vaginalis set domain proteins, putative 0.0265 0.764 0.5692
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0233 0.6416 1
Brugia malayi Pre-SET motif family protein 0.0233 0.6416 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0107 0.1635 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0328 1 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0094 0.1138 0.1773
Trichomonas vaginalis glycoside hydrolase, putative 0.0293 0.8686 0.7602
Loa Loa (eye worm) hypothetical protein 0.0076 0.0454 0.0707
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0094 0.1138 0.1773
Schistosoma mansoni hypothetical protein 0.0174 0.4164 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0107 0.1635 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Onchocerca volvulus 0.0265 0.764 0.5
Loa Loa (eye worm) hypothetical protein 0.0107 0.1635 0.2548
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0107 0.1635 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0328 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.3632 0.5
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.3632 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0107 0.1635 0.3183

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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