Detailed information for compound 808919

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 449.565 | Formula: C25H27N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1cccs1)NCc1c(C)ncc2c1CCN(C2)C(=O)COc1ccc(cc1)C
  • InChi: 1S/C25H27N3O3S/c1-17-5-7-20(8-6-17)31-16-25(30)28-10-9-22-19(15-28)13-26-18(2)23(22)14-27-24(29)12-21-4-3-11-32-21/h3-8,11,13H,9-10,12,14-16H2,1-2H3,(H,27,29)
  • InChiKey: HXLPAQJKCUSCMK-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
Loa Loa (eye worm) hypothetical protein 0.0042 0.2852 0.2852
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0042 0.2782 0.5
Giardia lamblia Kinase, CMGC CDK 0.0042 0.2782 0.2782
Loa Loa (eye worm) hypothetical protein 0.0072 1 1
Trichomonas vaginalis cyclin A, putative 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 1 1
Trichomonas vaginalis cyclins, putative 0.0072 1 1
Onchocerca volvulus 0.0072 1 0.5
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 0.2782 0.2782
Trypanosoma brucei mitotic cyclin 6 0.0072 1 1
Leishmania major cyclin 0.0072 1 1
Echinococcus granulosus cyclin B 0.0072 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0042 0.2782 0.2782
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0042 0.2782 0.2782
Echinococcus granulosus cyclin dependent kinase 5 0.0042 0.2782 0.2782
Trichomonas vaginalis cyclin B, putative 0.0072 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.2782 0.2782
Giardia lamblia Kinase, CMGC CDK 0.0042 0.2782 0.2782
Echinococcus multilocularis cyclin B 0.0072 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 0.2782 0.2782
Echinococcus multilocularis cyclin dependent kinase 0.0042 0.2782 0.2782
Trypanosoma cruzi cyclin, putative 0.0072 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.2676 0.2676
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 0.2782 0.2782
Trypanosoma cruzi cyclin, putative 0.0072 1 1
Echinococcus granulosus cyclin dependent kinase 0.0042 0.2782 0.2782
Brugia malayi Cyclin, N-terminal domain containing protein 0.0072 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0072 1 1
Brugia malayi cell division control protein 2 homolog 0.0042 0.2782 0.2782
Trichomonas vaginalis cyclin B, putative 0.0072 1 1
Entamoeba histolytica cyclin, putative 0.0072 1 1
Plasmodium vivax protein kinase Crk2 0.0042 0.2782 0.5
Trichomonas vaginalis cyclins, putative 0.0049 0.4577 0.4577
Trichomonas vaginalis cyclins, putative 0.0072 1 1
Schistosoma mansoni cyclin B 0.0072 1 1
Brugia malayi Protein kinase domain containing protein 0.0042 0.2782 0.2782
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 0.2782 0.2782
Giardia lamblia G2/mitotic-specific cyclin B 0.0072 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0072 1 1
Trichomonas vaginalis cyclins, putative 0.0072 1 1
Echinococcus multilocularis cyclin dependent kinase 5 0.0042 0.2782 0.2782
Trypanosoma cruzi cyclin 6, putative 0.0072 1 1
Trichomonas vaginalis cyclins, putative 0.0072 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.2782 0.2782
Schistosoma mansoni serine/threonine protein kinase 0.0042 0.2782 0.2782
Plasmodium falciparum protein kinase 5 0.0042 0.2782 1
Trichomonas vaginalis cyclin B, putative 0.0072 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0042 0.2782 0.2782
Trichomonas vaginalis cyclin B, putative 0.0072 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 0.2782 0.2782
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.2782 0.2782
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 0.2782 0.2782
Trichomonas vaginalis CMGC family protein kinase 0.0042 0.2782 0.2782

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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