Detailed information for compound 1722929

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 331.37 | Formula: C16H21N5O3
  • H donors: 2 H acceptors: 2 LogP: -1.08 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cnc2n(c1=O)ccc(c2)C)NCCN1CCOCC1
  • InChi: 1S/C16H21N5O3/c1-12-2-4-21-14(10-12)18-11-13(15(21)22)19-16(23)17-3-5-20-6-8-24-9-7-20/h2,4,10-11H,3,5-9H2,1H3,(H2,17,19,23)
  • InChiKey: GMOZCVPQZXWLCX-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) tubulin alpha-2 chain 0.0808 0.3883 0.3883
Toxoplasma gondii alpha tubulin TUBA1 0.0808 0.3883 0.2121
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0525 0.0903 0.0903
Echinococcus granulosus tubulin alpha chain 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin alpha chain 0.0808 0.3883 0.2121
Brugia malayi alpha-tubulin 0.0808 0.3883 0.2121
Brugia malayi tubulin alpha-2 chain 0.0808 0.3883 0.2121
Trypanosoma cruzi alpha tubulin, putative 0.0808 0.3883 0.2121
Toxoplasma gondii alpha-tubulin I, putative 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Loa Loa (eye worm) hypothetical protein 0.0525 0.0903 0.0903
Echinococcus granulosus tubulin alpha 3 chain 0.0808 0.3883 0.2121
Echinococcus multilocularis peroxisome assembly protein 26 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin alpha 1C chain 0.0808 0.3883 0.2121
Loa Loa (eye worm) tubulin alpha 2 0.0525 0.0903 0.0903
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Echinococcus multilocularis tubulin alpha chain 0.0808 0.3883 0.2121
Schistosoma mansoni alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha chain 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha chain 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Plasmodium falciparum alpha tubulin 2 0.0808 0.3883 0.2121
Echinococcus granulosus Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Trypanosoma brucei alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha 1C chain 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin epsilon chain, putative 0.0808 0.3883 0.3883
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha chain 0.0808 0.3883 0.2121
Trypanosoma brucei alpha tubulin 0.0808 0.3883 0.2121
Entamoeba histolytica tubulin alpha chain, putative 0.0808 0.3883 0.2121
Entamoeba histolytica tubulin alpha-1 chain 0.0808 0.3883 0.2121
Loa Loa (eye worm) alpha-tubulin 0.0808 0.3883 0.3883
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Schistosoma mansoni alpha tubulin 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0525 0.0903 0.0903
Echinococcus granulosus peroxisome assembly protein 26 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin gamma chain, putative 0.0652 0.2236 0.2236
Plasmodium falciparum alpha tubulin 1 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin alpha 1C chain 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0808 0.3883 0.3883
Schistosoma mansoni tubulin subunit alpha 0.0808 0.3883 0.2121
Brugia malayi Tubulin alpha-2 chain 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Brugia malayi Tubulin alpha-2 chain 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin epsilon chain, putative 0.0808 0.3883 0.3883
Echinococcus multilocularis tubulin alpha chain 0.0808 0.3883 0.2121
Echinococcus granulosus alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha chain 0.0808 0.3883 0.2121
Echinococcus multilocularis Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Plasmodium vivax tubulin alpha chain, putative 0.0808 0.3883 0.2121
Echinococcus granulosus Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha 1C chain 0.0808 0.3883 0.2121
Brugia malayi tubulin alpha chain - mouse 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin alpha 3 chain 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Echinococcus granulosus tubulin alpha 3 chain 0.0808 0.3883 0.2121
Brugia malayi Tubulin alpha chain 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin gamma chain, putative 0.0652 0.2236 0.2236
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Echinococcus multilocularis Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Loa Loa (eye worm) tubulin gamma chain 0.0652 0.2236 0.2236
Echinococcus multilocularis tubulin alpha 3 chain 0.0808 0.3883 0.2121
Echinococcus multilocularis Tubulin alpha 1 chain 0.0808 0.3883 0.2121
Trypanosoma brucei alpha tubulin 0.0808 0.3883 0.2121
Schistosoma mansoni tubulin subunit alpha 0.0808 0.3883 0.2121
Schistosoma mansoni alpha tubulin 0.0808 0.3883 0.2121
Loa Loa (eye worm) tubulin alpha 2 0.0525 0.0903 0.0903
Giardia lamblia Alpha-tubulin 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Trichomonas vaginalis tubulin beta chain, putative 0.0808 0.3883 0.3883
Loa Loa (eye worm) tubulin alpha chain 0.0808 0.3883 0.3883
Echinococcus granulosus tubulin subunit TubB 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Giardia lamblia Alpha-tubulin 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Schistosoma mansoni tubulin subunit alpha 0.0808 0.3883 0.2121
Leishmania major alpha tubulin 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin subunit TubB 0.0808 0.3883 0.2121
Trypanosoma brucei alpha tubulin 0.0808 0.3883 0.2121
Echinococcus multilocularis hypothetical protein 0.0808 0.3883 0.2121
Loa Loa (eye worm) tubulin alpha chain 0.0808 0.3883 0.3883
Plasmodium vivax tubulin alpha chain, putative 0.0808 0.3883 0.2121
Echinococcus multilocularis tubulin alpha chain 0.0808 0.3883 0.2121
Loa Loa (eye worm) hypothetical protein 0.0808 0.3883 0.3883
Echinococcus multilocularis tubulin alpha chain 0.0808 0.3883 0.2121
Trichomonas vaginalis tubulin alpha chain, putative 0.0652 0.2236 0.2236
Loa Loa (eye worm) alpha-tubulin 0.0808 0.3883 0.3883

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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