Detailed information for compound 1637680

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 308.763 | Formula: C14H17ClN4O2
  • H donors: 1 H acceptors: 4 LogP: 1.35 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCO[C@@H]1C[C@H]2C[C@@H]1[C@@H](C2)n1cnc2c1ncnc2Cl
  • InChi: 1S/C14H17ClN4O2/c15-13-12-14(17-6-16-13)19(7-18-12)10-4-8-3-9(10)11(5-8)21-2-1-20/h6-11,20H,1-5H2/t8-,9+,10+,11+/m0/s1
  • InChiKey: YAZQMCKYUIAPGY-LNFKQOIKSA-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
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.1889 1 0.5
Loa Loa (eye worm) AGC/PKN protein kinase 0.0075 0.01 0.01
Loa Loa (eye worm) AGC/NDR protein kinase 0.0075 0.01 0.01
Giardia lamblia Kinase, CMGC MAPK 0.1889 1 1
Loa Loa (eye worm) AGC/AKT protein kinase 0.0075 0.01 0.01
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.1889 1 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.1889 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1889 1 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.1889 1 1
Schistosoma mansoni serine/threonine protein kinase 0.1889 1 1
Trichomonas vaginalis CMGC family protein kinase 0.1889 1 1
Brugia malayi Hr1 repeat family protein 0.0075 0.01 0.01
Brugia malayi Protein kinase domain containing protein 0.0075 0.01 0.01
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0413 0.1947 0.1866
Brugia malayi p70 ribosomal S6 kinase beta 0.0075 0.01 0.01
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0357 0.1639 0.1639
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0413 0.1947 0.1947
Trichomonas vaginalis CMGC family protein kinase 0.1889 1 1
Brugia malayi Protein kinase domain containing protein 0.0075 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0192 0.0739 0.0645
Echinococcus multilocularis mitogen activated protein kinase 0.1889 1 1
Echinococcus multilocularis geminin 0.0192 0.0739 0.0645
Entamoeba histolytica protein kinase, putative 0.0075 0.01 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.1889 1 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.1889 1 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0075 0.01 0.01
Trichomonas vaginalis CMGC family protein kinase 0.1889 1 1
Echinococcus granulosus mitogen activated protein kinase 0.1889 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0413 0.1947 0.1866
Entamoeba histolytica protein kinase, putative 0.0075 0.01 0.5
Entamoeba histolytica protein kinase, putative 0.0075 0.01 0.5
Trypanosoma brucei protein kinase, putative 0.1889 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1889 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0075 0.01 0.01
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0075 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0192 0.0739 0.0645
Brugia malayi Protein kinase domain containing protein 0.0075 0.01 0.01
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.1889 1 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.1889 1 0.5
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0075 0.01 0.01
Brugia malayi protein kinase C II. 0.0075 0.01 0.01
Echinococcus granulosus mitogen activated protein kinase 3 0.1889 1 1
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0075 0.01 0.01
Entamoeba histolytica protein kinase, putative 0.0075 0.01 0.5
Echinococcus granulosus geminin 0.0192 0.0739 0.0645
Schistosoma mansoni serine/threonine protein kinase 0.0413 0.1947 0.1866
Echinococcus multilocularis mitogen activated protein kinase 3 0.1889 1 1

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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