Detailed information for compound 1523884

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.427 | Formula: C14H21N7O2S
  • H donors: 2 H acceptors: 5 LogP: 0.32 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nccn1c1ncnc(c1)N1CCC(CC1)CNS(=O)(=O)N
  • InChi: 1S/C14H21N7O2S/c1-11-16-4-7-21(11)14-8-13(17-10-18-14)20-5-2-12(3-6-20)9-19-24(15,22)23/h4,7-8,10,12,19H,2-3,5-6,9H2,1H3,(H2,15,22,23)
  • InChiKey: FPUGWDATEZQYTQ-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
Echinococcus granulosus tubulin alpha 1C chain 0.0394 0.5183 0.4124
Echinococcus multilocularis hypothetical protein 0.0394 0.5183 0.4124
Echinococcus multilocularis Tubulin beta 2C chain 0.0546 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0546 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Schistosoma mansoni tubulin subunit alpha 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Echinococcus granulosus tubulin beta 4A class IVa 0.0546 1 1
Echinococcus granulosus tubulin alpha chain 0.0394 0.5183 0.4124
Echinococcus granulosus alpha tubulin 0.0394 0.5183 0.4124
Loa Loa (eye worm) tubulin beta chain 0.0546 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0546 1 1
Schistosoma mansoni alpha tubulin 0.0394 0.5183 0.4124
Entamoeba histolytica tubulin family protein 0.0546 1 1
Brugia malayi beta-tubulin, identical 0.0546 1 1
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Echinococcus multilocularis beta tubulin 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Echinococcus multilocularis tubulin alpha 1C chain 0.0394 0.5183 0.4124
Loa Loa (eye worm) BEN-1 protein 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0288 0.1802 0.1802
Brugia malayi Tubulin alpha-2 chain 0.0394 0.5183 0.4124
Loa Loa (eye worm) tubulin alpha chain 0.0394 0.5183 0.5183
Trichomonas vaginalis tubulin epsilon chain, putative 0.0394 0.5183 0.5183
Plasmodium falciparum alpha tubulin 2 0.0394 0.5183 0.4124
Echinococcus granulosus tubulin subunit TubB 0.0394 0.5183 0.4124
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0288 0.1802 0.1802
Leishmania major beta tubulin 0.0546 1 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0394 0.5183 0.4124
Schistosoma mansoni alpha tubulin 0.0394 0.5183 0.4124
Echinococcus granulosus Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Trypanosoma brucei alpha tubulin 0.0394 0.5183 0.4124
Entamoeba histolytica tubulin alpha chain, putative 0.0394 0.5183 0.4124
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Brugia malayi tubulin alpha-2 chain 0.0394 0.5183 0.4124
Loa Loa (eye worm) hypothetical protein 0.0269 0.1206 0.1206
Echinococcus multilocularis tubulin alpha chain 0.0394 0.5183 0.4124
Loa Loa (eye worm) alpha-tubulin 0.0394 0.5183 0.5183
Trypanosoma brucei alpha tubulin 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0546 1 1
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Echinococcus multilocularis tubulin alpha chain 0.0394 0.5183 0.4124
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Echinococcus granulosus tubulin subunit beta 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin beta chain, putative 0.0546 1 1
Echinococcus granulosus tubulin alpha chain 0.0394 0.5183 0.4124
Giardia lamblia Beta tubulin 0.0546 1 1
Echinococcus multilocularis beta tubulin 0.0546 1 1
Trypanosoma brucei beta tubulin 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Giardia lamblia Alpha-tubulin 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Brugia malayi alpha-tubulin 0.0394 0.5183 0.4124
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Toxoplasma gondii beta-tubulin, putative 0.0546 1 1
Entamoeba histolytica tubulin family protein 0.0546 1 1
Loa Loa (eye worm) alpha-tubulin 0.0394 0.5183 0.5183
Trichomonas vaginalis tubulin alpha chain, putative 0.0546 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin gamma chain, putative 0.0288 0.1802 0.1802
Leishmania major beta tubulin 0.0546 1 1
Toxoplasma gondii alpha tubulin TUBA1 0.0394 0.5183 0.4124
Echinococcus granulosus tubulin alpha 3 chain 0.0394 0.5183 0.4124
Toxoplasma gondii alpha-tubulin I, putative 0.0394 0.5183 0.4124
Echinococcus multilocularis tubulin alpha chain 0.0394 0.5183 0.4124
Trypanosoma brucei beta tubulin 0.0546 1 1
Echinococcus granulosus tubulin alpha chain 0.0394 0.5183 0.4124
Echinococcus granulosus Tubulin beta 2C chain 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Echinococcus multilocularis tubulin alpha 3 chain 0.0394 0.5183 0.4124
Toxoplasma gondii beta-1 tubulin, putative 0.0546 1 1
Toxoplasma gondii beta tubulin 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Schistosoma mansoni tubulin subunit alpha 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Entamoeba histolytica tubulin alpha-1 chain 0.0394 0.5183 0.4124
Loa Loa (eye worm) tubulin alpha chain 0.0394 0.5183 0.5183
Giardia lamblia Beta tubulin 0.0546 1 1
Echinococcus multilocularis peroxisome assembly protein 26 0.0394 0.5183 0.4124
Trypanosoma brucei beta tubulin 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin epsilon chain, putative 0.0546 1 1
Plasmodium falciparum alpha tubulin 1 0.0394 0.5183 0.4124
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0546 1 1
Schistosoma mansoni tubulin subunit alpha 0.0394 0.5183 0.4124
Echinococcus multilocularis tubulin alpha chain 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin epsilon chain, putative 0.0394 0.5183 0.5183
Echinococcus multilocularis tubulin subunit beta 0.0546 1 1
Echinococcus multilocularis tubulin alpha chain 0.0394 0.5183 0.4124
Trypanosoma cruzi alpha tubulin, putative 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0269 0.1206 0.1206
Loa Loa (eye worm) tubulin beta-2A chain 0.0546 1 1
Loa Loa (eye worm) tubulin alpha 2 0.0269 0.1206 0.1206
Plasmodium vivax tubulin alpha chain, putative 0.0394 0.5183 0.4124
Trypanosoma brucei alpha tubulin 0.0394 0.5183 0.4124
Giardia lamblia Beta tubulin 0.0546 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0394 0.5183 0.4124
Loa Loa (eye worm) tubulin beta-1 chain 0.0546 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0394 0.5183 0.5183
Leishmania major beta tubulin 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0546 1 1
Leishmania major beta tubulin 0.0546 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0546 1 1
Trypanosoma cruzi beta tubulin, putative 0.0546 1 1
Brugia malayi Tubulin alpha chain 0.0394 0.5183 0.4124
Echinococcus granulosus beta tubulin 0.0546 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0546 1 1
Loa Loa (eye worm) tubulin gamma chain 0.0288 0.1802 0.1802
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Echinococcus granulosus Tubulin beta 2C chain 0.0546 1 1
Echinococcus granulosus tubulin alpha chain 0.0394 0.5183 0.4124
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Loa Loa (eye worm) beta-tubulin 0.0546 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0546 1 1
Loa Loa (eye worm) BEN-1 protein 0.0546 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Plasmodium falciparum tubulin beta chain 0.0546 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0546 1 1
Trichomonas vaginalis tubulin, putative 0.0546 1 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0394 0.5183 0.5183
Plasmodium vivax tubulin alpha chain, putative 0.0394 0.5183 0.4124
Leishmania major beta tubulin 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Plasmodium vivax tubulin beta chain, putative 0.0546 1 1
Giardia lamblia Alpha-tubulin 0.0394 0.5183 0.4124
Loa Loa (eye worm) tubulin alpha 2 0.0269 0.1206 0.1206
Echinococcus multilocularis Tubulin beta 2C chain 0.0546 1 1
Schistosoma mansoni tubulin subunit beta 0.0546 1 1
Loa Loa (eye worm) hypothetical protein 0.0394 0.5183 0.5183
Echinococcus granulosus tubulin alpha 3 chain 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Trypanosoma brucei beta tubulin 0.0546 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin gamma chain, putative 0.0546 1 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0269 0.1206 0.1206
Echinococcus multilocularis Tubulin alpha 1 chain 0.0394 0.5183 0.4124
Trypanosoma brucei alpha tubulin 0.0394 0.5183 0.4124
Echinococcus granulosus tubulin alpha chain 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin epsilon chain, putative 0.0546 1 1
Schistosoma mansoni alpha tubulin 0.0394 0.5183 0.4124
Brugia malayi tubulin alpha chain - mouse 0.0394 0.5183 0.4124
Brugia malayi Tubulin alpha-2 chain 0.0394 0.5183 0.4124
Leishmania major alpha tubulin 0.0394 0.5183 0.4124
Trichomonas vaginalis tubulin beta chain, putative 0.0394 0.5183 0.5183
Echinococcus granulosus beta tubulin 0.0546 1 1
Leishmania major alpha tubulin 0.0394 0.5183 0.4124

Activities

Activity type Activity value Assay description Source Reference
INH (binding) > 10 uM Inhibition of PC1 by in vitro Kinase-Glo assay ChEMBL. 19435660
INH (binding) > 10 uM Displacement of [3H]-dofetilid from human ERG expressed in HEK293 cells ChEMBL. 19435660

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

1 literature reference was collected for this gene.

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