Detailed information for compound 837051

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 468.959 | Formula: C22H21ClN6O2S
  • H donors: 0 H acceptors: 1 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)N1CCOCC1
  • InChi: 1S/C22H21ClN6O2S/c1-13-11-15(14(2)28(13)17-5-3-16(23)4-6-17)12-18-19(24)29-21(25-20(18)30)32-22(26-29)27-7-9-31-10-8-27/h3-6,11-12,24H,7-10H2,1-2H3/b18-12+,24-19?
  • InChiKey: IWPQSQXLNQABCG-YFGLPBLDSA-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 0.0034 0.8211 0.8211
Echinococcus multilocularis Glutaredoxin protein 5 0.0021 0.3573 0.3573
Echinococcus multilocularis rac serine:threonine kinase 0.0023 0.4404 0.4404
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Echinococcus multilocularis nervana 2 0.0021 0.3573 0.3573
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0032 0.7464 0.7464
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0021 0.3573 0.3573
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0039 1 1
Brugia malayi Protein kinase domain containing protein 0.0034 0.8211 0.8211
Trypanosoma cruzi Protein kinase B 0.0023 0.4404 0.1178
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Entamoeba histolytica protein kinase, putative 0.0032 0.7464 0.7464
Echinococcus multilocularis nervana 2 0.0021 0.3573 0.3573
Echinococcus granulosus Glutaredoxin protein 5 0.0021 0.3573 0.3573
Entamoeba histolytica protein kinase, putative 0.0034 0.8211 0.8211
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0039 1 1
Echinococcus granulosus serine threonine protein kinase nrc 0.0021 0.3657 0.3657
Schistosoma mansoni serine/threonine-protein kinase 0.0023 0.4404 0.4404
Brugia malayi p70 ribosomal S6 kinase beta 0.0032 0.7464 0.7464
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0039 1 0.5
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0021 0.3657 0.3657
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0039 1 1
Trichomonas vaginalis AGC family protein kinase 0.0013 0.0747 0.0747
Echinococcus granulosus nervana 2 0.0021 0.3573 0.3573
Schistosoma mansoni serine/threonine-protein kinase 0.0023 0.4404 0.4404
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0039 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0039 1 1
Trypanosoma cruzi rac serine-threonine kinase, putative 0.0023 0.4404 0.1178
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.4404 0.4404
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0039 1 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0021 0.3573 0.3573
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Giardia lamblia Kinase, AGC PKA 0.0021 0.3657 0.5
Loa Loa (eye worm) AGC/AKT protein kinase 0.0034 0.8211 0.8211
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0039 1 1
Entamoeba histolytica protein kinase 2, putative 0.0021 0.3657 0.3657
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0021 0.3657 0.3657
Echinococcus granulosus nervana 2 0.0021 0.3573 0.3573
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0039 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0039 1 1
Entamoeba histolytica protein kinase, putative 0.0034 0.8211 0.8211
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0039 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0039 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0023 0.4404 0.4404
Trichomonas vaginalis AGC family protein kinase 0.0034 0.8211 0.8211
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0039 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0023 0.4404 0.4404

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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