Detailed information for compound 1801985

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 285.253 | Formula: C11H15N3O6
  • H donors: 1 H acceptors: 4 LogP: 1.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO/N=C(/C(=O)NC(=O)OCC(C(=O)OC)(C)C)\C#N
  • InChi: 1S/C11H15N3O6/c1-11(2,9(16)18-3)6-20-10(17)13-8(15)7(5-12)14-19-4/h6H2,1-4H3,(H,13,15,17)/b14-7+
  • InChiKey: QQRITWLVJNEZAG-VGOFMYFVSA-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
Onchocerca volvulus Transitional endoplasmic reticulum ATPase homolog 0.0225 0.8017 0.5
Leishmania major carbonic anhydrase-like protein 0.0268 1 1
Echinococcus granulosus transitional endoplasmic reticulum atpase 0.0225 0.8017 0.7258
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0114 0.2819 0.1178
Echinococcus multilocularis transitional endoplasmic reticulum atpase 0.0225 0.8017 0.7564
Schistosoma mansoni hypothetical protein 0.0114 0.2819 0.1178
Loa Loa (eye worm) vesicle-fusing ATPase 0.0132 0.3675 0.223
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0268 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0268 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0113 0.277 0.1118
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0268 1 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0268 1 1
Echinococcus multilocularis carbonic anhydrase 0.0114 0.2819 0.1179
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0268 1 1
Brugia malayi vesicle-fusing ATPase 0.0132 0.3675 0.223
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0113 0.277 0.1118
Toxoplasma gondii cell division protein CDC48AP 0.0135 0.3801 0.189
Loa Loa (eye worm) hypothetical protein 0.0114 0.2819 0.1178
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0114 0.2819 0.1178
Loa Loa (eye worm) carbonic anhydrase 3 0.0268 1 1
Mycobacterium tuberculosis Putative conserved ATPase 0.0135 0.3801 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0114 0.2819 0.1178
Schistosoma mansoni carbonic anhydrase-related 0.0114 0.2819 0.1178
Plasmodium vivax cell division cycle protein 48 homologue, putative 0.0213 0.7477 1
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0213 0.7477 0.69
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0268 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0114 0.2819 0.1178
Schistosoma mansoni carbonic anhydrase 0.0114 0.2819 0.1178
Leishmania major Transitional endoplasmic reticulum ATPase, putative,valosin-containing protein homolog 0.0213 0.7477 0.6837
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0114 0.2819 0.1178
Echinococcus granulosus carbonic anhydrase II 0.0268 1 1
Entamoeba histolytica cdc48-like protein, putative 0.0213 0.7477 0.5
Echinococcus multilocularis carbonic anhydrase 0.0114 0.2819 0.1179
Echinococcus granulosus carbonic anhydrase 0.0114 0.2819 0.0068
Schistosoma mansoni carbonic anhydrase-related 0.0114 0.2819 0.1178
Mycobacterium ulcerans ATPase 0.0135 0.3801 0.5
Trypanosoma brucei carbonic anhydrase-like protein 0.0268 1 1
Entamoeba histolytica transitional endoplasmic reticulum ATPase, putative 0.0213 0.7477 0.5
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0097 0.2022 0.0199
Plasmodium falciparum cell division cycle protein 48 homologue, putative 0.0213 0.7477 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.2819 0.1178
Brugia malayi valosin containing protein 0.0132 0.3675 0.223
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0114 0.2819 0.1178
Loa Loa (eye worm) hypothetical protein 0.0114 0.2819 0.1178
Toxoplasma gondii cell division protein CDC48CY 0.0225 0.8017 1
Echinococcus multilocularis carbonic anhydrase 0.0114 0.2819 0.1179
Echinococcus granulosus carbonic anhydrase 0.0114 0.2819 0.0068
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0113 0.277 0.1118
Schistosoma mansoni cell division control protein 48 aaa family protein 0.0225 0.8017 0.7564
Loa Loa (eye worm) hypothetical protein 0.0132 0.3675 0.223
Echinococcus granulosus carbonic anhydrase 0.0114 0.2819 0.0068
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0268 1 1
Toxoplasma gondii transitional endoplasmic reticulum ATPase, putative 0.0135 0.3801 0.189
Giardia lamblia AAA family ATPase 0.0135 0.3801 1
Trichomonas vaginalis spermatogenesis associated factor, putative 0.0225 0.8017 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0114 0.2819 0.1178

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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