Detailed information for compound 1815481

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.524 | Formula: C18H24N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 2.99 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)S(=O)(=O)NCCCCNS(=O)(=O)c1cccc(c1)C
  • InChi: 1S/C18H24N2O4S2/c1-15-7-5-9-17(13-15)25(21,22)19-11-3-4-12-20-26(23,24)18-10-6-8-16(2)14-18/h5-10,13-14,19-20H,3-4,11-12H2,1-2H3
  • InChiKey: CKCNXNIIGIEBHJ-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
Trichomonas vaginalis cyclins, putative 0.0168 0.0978 0.0978
Brugia malayi cell division control protein 2 homolog 0.0234 0.1635 0.1635
Loa Loa (eye worm) hypothetical protein 0.0225 0.1543 0.1543
Trichomonas vaginalis CMGC family protein kinase 0.0234 0.1635 0.1635
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0234 0.1635 0.5
Echinococcus multilocularis cyclin dependent kinase 5 0.0234 0.1635 0.1635
Plasmodium falciparum protein kinase 5 0.0234 0.1635 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0978 0.0978
Echinococcus multilocularis cyclin dependent kinase 1 0.0234 0.1635 0.1635
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.1073 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0234 0.1635 0.1635
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.1073 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0234 0.1635 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0234 0.1635 0.1635
Plasmodium vivax protein kinase Crk2 0.0234 0.1635 0.5
Trichomonas vaginalis cyclin A, putative 0.0168 0.0978 0.0978
Loa Loa (eye worm) hypothetical protein 0.0098 0.0279 0.0279
Echinococcus granulosus cyclin dependent kinase 0.0234 0.1635 0.1635
Giardia lamblia Kinase, CMGC CDK 0.0234 0.1635 0.1635
Brugia malayi Cyclin, N-terminal domain containing protein 0.0168 0.0978 0.0978
Brugia malayi Protein kinase domain containing protein 0.0234 0.1635 0.1635
Echinococcus multilocularis cyclin dependent kinase 0.0234 0.1635 0.1635
Trichomonas vaginalis cyclins, putative 0.0168 0.0978 0.0978
Entamoeba histolytica cell division protein kinase 2, putative 0.0234 0.1635 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0168 0.0978 0.0978
Trypanosoma cruzi cdc2-related kinase 1 0.0234 0.1635 1
Loa Loa (eye worm) hypothetical protein 0.0168 0.0978 0.0978
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0234 0.1635 0.1635
Trichomonas vaginalis cyclin B, putative 0.0168 0.0978 0.0978
Trichomonas vaginalis CMGC family protein kinase 0.0234 0.1635 0.1635
Giardia lamblia Kinase, CMGC CDK 0.0234 0.1635 0.1635
Loa Loa (eye worm) TTK protein kinase 0.1073 1 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0168 0.0978 0.0978
Trichomonas vaginalis cyclin B, putative 0.0168 0.0978 0.0978
Trichomonas vaginalis cyclins, putative 0.0168 0.0978 0.0978
Trichomonas vaginalis cyclin B, putative 0.0168 0.0978 0.0978
Trypanosoma cruzi cdc2-related kinase 1 0.0234 0.1635 1
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.1073 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0234 0.1635 0.1635
Schistosoma mansoni cyclin B 0.0168 0.0978 0.0978
Echinococcus multilocularis cyclin B 0.0168 0.0978 0.0978
Trichomonas vaginalis cyclin B, putative 0.0168 0.0978 0.0978
Trypanosoma cruzi cdc2-related kinase 3 0.0234 0.1635 1
Trichomonas vaginalis CAMK family protein kinase 0.1073 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0234 0.1635 0.1635
Echinococcus multilocularis cyclin dependent kinase 1 0.0234 0.1635 0.1635
Giardia lamblia Kinase, TTK 0.1073 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0234 0.1635 0.1635
Trichomonas vaginalis cyclins, putative 0.0115 0.0448 0.0448
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0234 0.1635 0.1635
Trichomonas vaginalis CAMK family protein kinase 0.1073 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0234 0.1635 0.1635
Trypanosoma brucei cdc2-related kinase 3 0.0234 0.1635 1
Trichomonas vaginalis cyclins, putative 0.0168 0.0978 0.0978
Echinococcus granulosus cyclin dependent kinase 5 0.0234 0.1635 0.1635
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0234 0.1635 1
Trypanosoma brucei cdc2-related kinase 1 0.0234 0.1635 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0234 0.1635 1
Entamoeba histolytica cyclin, putative 0.0168 0.0978 0.5981
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.1073 1 1
Echinococcus granulosus cyclin B 0.0168 0.0978 0.0978
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0234 0.1635 1

Activities

Activity type Activity value Assay description Source Reference
-logMIC (functional) = 3.55 Antimicrobial activity against Escherichia coli ATCC 11230 after 24 hr by broth microdilution assay ChEMBL. No reference

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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