Detailed information for compound 1591997

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.523 | Formula: C24H24N2O4S
  • H donors: 0 H acceptors: 3 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N(c1ccccc1)Cc1ncc2c(c1)C=CC(O2)(C)C
  • InChi: 1S/C24H24N2O4S/c1-24(2)14-13-18-15-19(25-16-23(18)30-24)17-26(20-7-5-4-6-8-20)31(27,28)22-11-9-21(29-3)10-12-22/h4-16H,17H2,1-3H3
  • InChiKey: LGEJEPMOCNSYHR-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0142 0.1208 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0131 0.1071 1
Brugia malayi Protein kinase domain containing protein 0.0055 0.0127 0.0127
Plasmodium falciparum NIMA related kinase 1 0.0142 0.1208 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0475 0.5334 0.9996
Giardia lamblia Kinase, NEK 0.0142 0.1208 1
Entamoeba histolytica protein kinase, putative 0.0475 0.5336 1
Schistosoma mansoni serine/threonine protein kinase 0.0852 1 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0475 0.5334 0.9996
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0475 0.5336 1
Schistosoma mansoni serine/threonine protein kinase 0.0475 0.5336 0.5336
Trichomonas vaginalis CAMK family protein kinase 0.0069 0.0299 0.2475
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Brugia malayi serine/threonine-protein kinase plk-2 0.0131 0.1071 0.1071
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0055 0.0127 0.0239
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0131 0.1071 0.2008
Loa Loa (eye worm) TTK protein kinase 0.0055 0.0127 0.0127
Trypanosoma cruzi polo-like protein kinase, putative 0.0131 0.1071 1
Trichomonas vaginalis CAMK family protein kinase 0.0069 0.0299 0.2475
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0852 1 1
Giardia lamblia Kinase, NEK 0.0142 0.1208 1
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Giardia lamblia Kinase, TTK 0.0055 0.0127 0.1054
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0127 0.1054
Schistosoma mansoni kinase 0.007 0.0319 0.0319
Onchocerca volvulus Serine\/threonine kinase homolog 0.0131 0.1071 1
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0475 0.5336 1
Schistosoma mansoni serine/threonine protein kinase 0.0131 0.1071 0.1071
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0127 0.1054
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Trichomonas vaginalis STE family protein kinase 0.0142 0.1208 1
Trypanosoma brucei polo-like protein kinase 0.0131 0.1071 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0055 0.0127 0.0127
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0131 0.1071 0.2008
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0055 0.0127 0.0239
Giardia lamblia Kinase, PLK 0.0131 0.1071 0.8866
Entamoeba histolytica serine/threonine protein kinase, putative 0.0131 0.1071 0.2008
Giardia lamblia Kinase, NEK 0.0142 0.1208 1
Trichomonas vaginalis AGC family protein kinase 0.0142 0.1208 1
Trichomonas vaginalis CAMK family protein kinase 0.0131 0.1071 0.8866
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0142 0.1208 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0131 0.1071 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0131 0.1071 0.1071
Entamoeba histolytica protein kinase, putative 0.0475 0.5336 1

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.