Detailed information for compound 815139

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 494.667 | Formula: C28H35FN4OS
  • H donors: 0 H acceptors: 2 LogP: 4.4 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSCCC(=O)N(C(C1CCN(CC1)Cc1cccn1c1ccccn1)Cc1ccc(cc1)F)C
  • InChi: 1S/C28H35FN4OS/c1-31(28(34)14-19-35-2)26(20-22-8-10-24(29)11-9-22)23-12-17-32(18-13-23)21-25-6-5-16-33(25)27-7-3-4-15-30-27/h3-11,15-16,23,26H,12-14,17-21H2,1-2H3
  • InChiKey: BTZQTFVAYOXJSM-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 AGC family protein kinase 0.0062 0.2342 0.0851
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0042 0.0983 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0156 0.8935 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0053 0.1729 0.738
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0121 0.6454 0.688
Plasmodium falciparum serine/threonine protein kinase, putative 0.0062 0.2342 0.5
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0062 0.2342 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0062 0.2342 0.5
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0156 0.8935 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.1729 0.0827
Giardia lamblia Aurora kinase 0.0062 0.2342 0.0851
Giardia lamblia Kinase, TTK 0.0156 0.8935 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0053 0.1729 0.0939
Trypanosoma brucei aurora B kinase 0.0062 0.2342 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.2186 0.2446
Trichomonas vaginalis AGC family protein kinase 0.0062 0.2342 0.0851
Entamoeba histolytica serine/threonine protein kinase, putative 0.0053 0.1729 0.5485
Trichomonas vaginalis AGC family protein kinase 0.0062 0.2342 0.0851
Entamoeba histolytica protein kinase domain containing protein 0.0062 0.2342 1
Echinococcus multilocularis aurora kinase A 0.0062 0.2342 0.171
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0042 0.0983 0.0001
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0028 0 0.5
Trichomonas vaginalis AGC family protein kinase 0.0062 0.2342 0.0851
Loa Loa (eye worm) AUR protein kinase 0.0062 0.2342 0.2621
Entamoeba histolytica protein kinase, putative 0.0062 0.2342 1
Entamoeba histolytica protein kinase , putative 0.0062 0.2342 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0053 0.1729 0.738
Toxoplasma gondii aurora kinase 0.0062 0.2342 0.5
Echinococcus granulosus aurora kinase A 0.0062 0.2342 0.171
Trypanosoma cruzi polo-like protein kinase, putative 0.0053 0.1729 0.738
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.2342 0.1507
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0156 0.8935 1
Loa Loa (eye worm) AUR protein kinase 0.0062 0.2342 0.2621
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0062 0.2342 1
Trypanosoma cruzi aurora B kinase, putative 0.0062 0.2342 1
Brugia malayi serine/threonine kinase 12 0.0062 0.2342 0.2621
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0053 0.1729 0.1935
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0062 0.2342 0.171
Entamoeba histolytica protein kinase, putative 0.0062 0.2342 1
Loa Loa (eye worm) AUR protein kinase 0.0062 0.2342 0.2621
Trypanosoma brucei polo-like protein kinase 0.0053 0.1729 0.738
Trichomonas vaginalis CAMK family protein kinase 0.0156 0.8935 1
Brugia malayi serine/threonine protein kinase 6 0.0062 0.2342 0.2621
Leishmania major protein kinase, putative 0.0062 0.2342 1
Loa Loa (eye worm) TTK protein kinase 0.0156 0.8935 1
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0156 0.8935 0.8819
Brugia malayi serine/threonine-protein kinase plk-2 0.0053 0.1729 0.1935
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0062 0.2342 1
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0156 0.8935 1
Brugia malayi Cytochrome P450 family protein 0.0059 0.2186 0.2446
Brugia malayi Protein kinase domain containing protein 0.0156 0.8935 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0053 0.1729 0.0939
Schistosoma mansoni protein kinase 0.0062 0.2342 0.1507
Brugia malayi serine/threonine-protein kinase 6 0.0062 0.2342 0.2621
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0062 0.2342 0.171
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0121 0.6454 0.688

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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