Detailed information for compound 2262039

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 466.127 | Formula: C18H22N6O7S
  • H donors: 5 H acceptors: 8 LogP: -1.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC[C@H](c1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COS(=O)(=O)N
  • InChi: InChI=1S/C18H22N6O7S/c19-32(28,29)30-7-12-14(26)15(27)18(31-12)24-9-22-13-16(20-8-21-17(13)24)23-11(6-25)10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,25-27H,6-7H2,(H2,19,28,29)(H,20,21,23)/t11-,12-,14-,15-,18-/m1/s1
  • InChiKey: ZTUPSMZTRCBYRP-AJKMGBEJSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin-like modifier activating enzyme 3 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Theileria parva hypothetical protein, conserved Get druggable targets OG5_128095 All targets in OG5_128095
Neospora caninum ubiquitin-activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Brugia malayi Ectopic membrane ruffles in embryo protein 1 Get druggable targets OG5_128095 All targets in OG5_128095
Candida albicans Ubiquitin activating enzyme Get druggable targets OG5_128095 All targets in OG5_128095
Schistosoma mansoni ubiquitin-activating enzyme E1C Get druggable targets OG5_128095 All targets in OG5_128095
Candida albicans Ubiquitin activating enzyme Get druggable targets OG5_128095 All targets in OG5_128095
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 Get druggable targets OG5_128095 All targets in OG5_128095
Cryptosporidium parvum Uba3p like ubiquitin activating enzyme E1 Get druggable targets OG5_128095 All targets in OG5_128095
Babesia bovis ThiF family domain containing protein Get druggable targets OG5_128095 All targets in OG5_128095
Trypanosoma brucei NEDD8 activating enzyme subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Plasmodium berghei NEDD8-activating enzyme E1 catalytic subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Schistosoma japonicum ko:K06917 tRNA 2-selenouridine synthase, putative Get druggable targets OG5_128095 All targets in OG5_128095
Leishmania mexicana ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Leishmania infantum ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit Get druggable targets OG5_128095 All targets in OG5_128095
Trypanosoma congolense ubiquitin-activating enzyme E1, putative Get druggable targets OG5_128095 All targets in OG5_128095
Leishmania major ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Schistosoma japonicum NEDD8-activating enzyme E1 catalytic subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Leishmania braziliensis ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Trypanosoma brucei gambiense ubiquitin-activating enzyme e1, putative Get druggable targets OG5_128095 All targets in OG5_128095
Trypanosoma cruzi ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Cryptosporidium hominis ubiquitin-activating enzyme Get druggable targets OG5_128095 All targets in OG5_128095
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Plasmodium vivax ubiquitin-activating enzyme E1C, putative Get druggable targets OG5_128095 All targets in OG5_128095
Schistosoma japonicum NEDD8-activating enzyme E1 catalytic subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Entamoeba histolytica ubiquitin-activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit Get druggable targets OG5_128095 All targets in OG5_128095
Leishmania donovani ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit Get druggable targets OG5_128095 All targets in OG5_128095
Plasmodium knowlesi NEDD8-activating enzyme E1 catalytic subunit, putative Get druggable targets OG5_128095 All targets in OG5_128095
Schistosoma japonicum ko:K10686 ubiquitin-activating enzyme E1 C, putative Get druggable targets OG5_128095 All targets in OG5_128095
Trichomonas vaginalis molybdopterin biosynthesis moeb protein, putative Get druggable targets OG5_128095 All targets in OG5_128095
Trypanosoma cruzi ubiquitin activating enzyme, putative Get druggable targets OG5_128095 All targets in OG5_128095

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
Schistosoma mansoni ubiquitin-activating enzyme E1C 0.0077 1 0.5
Toxoplasma gondii NEDD8-activating enzyme E1 catalytic subunit 0.0077 1 0.5
Echinococcus granulosus NEDD8 activating enzyme E1 catalytic subunit 0.0077 1 0.5
Trichomonas vaginalis ubiquitin-activating enzyme E1, putative 0.0056 0.5962 1
Trypanosoma brucei NEDD8 activating enzyme subunit, putative 0.0024 0 0.5
Leishmania major ubiquitin activating enzyme, putative 0.0024 0 0.5
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0024 0 0.5
Entamoeba histolytica ubiquitin-activating enzyme, putative 0.0077 1 0.5
Loa Loa (eye worm) ectopic membrane ruffles in embryo protein 1 0.0077 1 0.5
Trypanosoma cruzi ubiquitin activating enzyme, putative 0.0024 0 0.5
Plasmodium falciparum NEDD8-activating enzyme E1 catalytic subunit, putative 0.0024 0 0.5
Plasmodium vivax ubiquitin-activating enzyme E1C, putative 0.0024 0 0.5
Echinococcus multilocularis NEDD8 activating enzyme E1 catalytic subunit 0.0077 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) <= 0.1 uM Inhibition of recombinant human untagged NAEalpha/N-terminal His-tagged NAEbeta expressed in Bac-to-Bac expression system using FLAG-tagged NEDD8 as substrate after 90 mins in presence of GST-tagged Ubc12 by HTRF assay PATENT. No reference

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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