Detailed information for compound 1803908

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 380.826 | Formula: C17H21ClN4O4
  • H donors: 0 H acceptors: 3 LogP: 2.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cn1)CN1CCN2C1=C([N+](=O)[O-])C1C2(C)OCCCCO1
  • InChi: 1S/C17H21ClN4O4/c1-17-15(25-8-2-3-9-26-17)14(22(23)24)16-20(6-7-21(16)17)11-12-4-5-13(18)19-10-12/h4-5,10,15H,2-3,6-9,11H2,1H3
  • InChiKey: LIWJOYWXVRGGHK-UHFFFAOYSA-N  


Substructure search Similarity search

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) AGC/AKT protein kinase 0.0094 1 1
Trichomonas vaginalis AGC family protein kinase 0.0063 0.496 0.496
Trichomonas vaginalis AGC family protein kinase 0.0055 0.3575 0.3575
Schistosoma mansoni protein kinase 0.0063 0.496 1
Entamoeba histolytica protein kinase domain containing protein 0.0063 0.496 0.496
Entamoeba histolytica protein kinase, putative 0.0094 1 1
Schistosoma mansoni serine/threonine-protein kinase 0.0063 0.4899 0.9876
Brugia malayi Protein kinase domain containing protein 0.0055 0.3575 0.3575
Echinococcus multilocularis nervana 2 0.0061 0.4621 0.9315
Trypanosoma cruzi aurora B kinase, putative 0.0063 0.496 1
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Trichomonas vaginalis AGC family protein kinase 0.0063 0.496 0.496
Loa Loa (eye worm) AUR protein kinase 0.0063 0.496 0.496
Entamoeba histolytica protein kinase, putative 0.0094 1 1
Toxoplasma gondii AGC kinase 0.0094 1 1
Giardia lamblia Aurora kinase 0.0063 0.496 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0094 1 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0055 0.3575 0.7207
Echinococcus granulosus serine threonine protein kinase nrc 0.0063 0.4899 0.9876
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0063 0.496 1
Leishmania major protein kinase, putative 0.0063 0.496 0.5
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0055 0.3575 0.3575
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0055 0.3575 0.7207
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0061 0.4621 0.9315
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0063 0.496 0.496
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0063 0.4899 0.9876
Echinococcus multilocularis rac serine:threonine kinase 0.0063 0.4899 0.9876
Entamoeba histolytica protein kinase 2, putative 0.0063 0.4899 0.4899
Entamoeba histolytica PH domain containing protein kinase, putative 0.0063 0.4899 0.4899
Trichomonas vaginalis AGC family protein kinase 0.0063 0.496 0.496
Trichomonas vaginalis AGC family protein kinase 0.0055 0.3575 0.3575
Echinococcus multilocularis nervana 2 0.0061 0.4621 0.9315
Brugia malayi phosphoinositide-dependent protein kinase I 0.0055 0.3575 0.3575
Brugia malayi Protein kinase domain containing protein 0.0094 1 1
Entamoeba histolytica protein kinase , putative 0.0063 0.496 0.496
Brugia malayi serine/threonine-protein kinase 6 0.0063 0.496 0.496
Trypanosoma brucei rac serine-threonine kinase, putative 0.0094 1 1
Echinococcus granulosus nervana 2 0.0061 0.4621 0.9315
Trichomonas vaginalis AGC family protein kinase 0.0063 0.496 0.496
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0063 0.496 1
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Entamoeba histolytica protein kinase, putative 0.0063 0.496 0.496
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.3575 0.7207
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0063 0.496 0.496
Loa Loa (eye worm) AUR protein kinase 0.0063 0.496 0.496
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Brugia malayi serine/threonine protein kinase 6 0.0063 0.496 0.496
Plasmodium falciparum serine/threonine protein kinase, putative 0.0063 0.496 1
Schistosoma mansoni serine/threonine protein kinase 0.0063 0.496 1
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0061 0.4621 0.9315
Echinococcus granulosus aurora kinase A 0.0063 0.496 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0063 0.496 0.496
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Echinococcus granulosus serine/threonine protein kinase 0.0063 0.4899 0.9876
Trichomonas vaginalis AGC family protein kinase 0.0094 1 1
Entamoeba histolytica protein kinase, putative 0.0063 0.496 0.496
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0055 0.3575 0.3575
Trichomonas vaginalis AGC family protein kinase 0.0055 0.3575 0.3575
Brugia malayi serine/threonine kinase 12 0.0063 0.496 0.496
Echinococcus multilocularis aurora kinase A 0.0063 0.496 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0063 0.496 1
Echinococcus granulosus Glutaredoxin protein 5 0.0061 0.4621 0.9315
Echinococcus multilocularis Glutaredoxin protein 5 0.0061 0.4621 0.9315
Entamoeba histolytica protein kinase, putative 0.0055 0.3575 0.3575
Entamoeba histolytica protein kinase, putative 0.0094 1 1
Echinococcus granulosus nervana 2 0.0061 0.4621 0.9315
Entamoeba histolytica PH domain containing protein kinase, putative 0.0063 0.4899 0.4899
Loa Loa (eye worm) AUR protein kinase 0.0063 0.496 0.496
Schistosoma mansoni serine/threonine-protein kinase 0.0063 0.4899 0.9876
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0063 0.4899 0.9876

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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