Detailed information for compound 1842719

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.517 | Formula: C22H24N4O2S
  • H donors: 1 H acceptors: 3 LogP: 3.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c[nH]c(c1)C(=O)N1CCCC1)CN1CCC[C@H]1c1nc2c(s1)cccc2
  • InChi: 1S/C22H24N4O2S/c27-19(15-12-17(23-13-15)22(28)25-9-3-4-10-25)14-26-11-5-7-18(26)21-24-16-6-1-2-8-20(16)29-21/h1-2,6,8,12-13,18,23H,3-5,7,9-11,14H2/t18-/m0/s1
  • InChiKey: TVQVNQMJJBMNFT-SFHVURJKSA-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 ubiquitin-activating enzyme E1, putative 0.008 0.0037 0.003
Trichomonas vaginalis ubiquitin-activating enzyme E1c, putative 0.0138 0.0527 0.0727
Brugia malayi ube1-prov protein 0.0167 0.0781 0.0746
Echinococcus multilocularis ubiquitin modifier activating enzyme 6 0.0167 0.0781 0.0746
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0085 0.0084 0.0174
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.1251 1 1
Schistosoma mansoni sumo-1-activating enzyme E1a 0.0088 0.0109 0.0072
Echinococcus granulosus SUMO activating enzyme subunit 1 0.0088 0.0109 0.0072
Entamoeba histolytica ubiquitin-activating enzyme E1 1, putative 0.0138 0.0527 0.0492
Leishmania major ubiquitin-activating enzyme e1, putative 0.0106 0.0258 0.0829
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.1251 1 1
Brugia malayi ThiF family protein 0.0088 0.0109 0.0072
Trypanosoma cruzi NEDD8-activating enzyme E1 regulatory subunit, putative 0.008 0.0037 0.0138
Echinococcus multilocularis ubiquitin modifier activating enzyme 1 0.0167 0.0781 0.0746
Loa Loa (eye worm) hypothetical protein 0.0088 0.0109 0.0072
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative 0.0393 0.2696 0.3809
Schistosoma mansoni ubiquitin-activating enzyme E1 0.0142 0.0562 0.0527
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.1251 1 1
Echinococcus multilocularis SUMO activating enzyme subunit 1 0.0088 0.0109 0.0072
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.008 0.0037 0.003
Leishmania major ubiquitin-activating enzyme e1, putative 0.0085 0.0084 0.0174
Schistosoma mansoni clathrin coat associated protein ap-50 0.0117 0.0353 0.0317
Echinococcus granulosus ubiquitin modifier activating enzyme 1 0.0167 0.0781 0.0746
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0393 0.2696 1
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0167 0.0781 0.0746
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0393 0.2696 1
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.1251 1 1
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.1251 1 1
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0393 0.2696 1
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.1251 1 1
Trypanosoma cruzi ubiquitin-activating enzyme E1, putative 0.0106 0.0258 0.0956
Leishmania major ubiquitin activating enzyme, putative 0.0393 0.2696 1
Trypanosoma brucei ubiquitin-activating enzyme E1, putative 0.0106 0.0258 0.0829
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0393 0.2696 1
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0138 0.0527 0.0727
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0138 0.0527 0.0727
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0905 0.7051 1
Giardia lamblia Ubiquitin-conjugating enzyme E1 0.0106 0.0258 0.5
Echinococcus granulosus ubiquitin modifier activating enzyme 6 0.0167 0.0781 0.0746
Plasmodium falciparum ubiquitin-activating enzyme E1 0.0167 0.0781 0.2597
Schistosoma mansoni clathrin coat associated protein ap-50 0.0117 0.0353 0.0317
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0393 0.2696 1
Trichomonas vaginalis ubiquitin-activating enzyme E1 X, putative 0.0081 0.0049 0.0046
Trypanosoma cruzi ubiquitin-activating enzyme E1, putative 0.0106 0.0258 0.0956
Toxoplasma gondii hypothetical protein 0.0088 0.0109 0.0072
Loa Loa (eye worm) ube1-prov protein 0.0167 0.0781 0.0746

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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