Detailed information for compound 163065

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 294.158 | Formula: C9H14NO6P2+
  • H donors: 4 H acceptors: 6 LogP: -2.36 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[n+]1cccc2c1CC(C2)(P(=O)(O)O)P(=O)(O)O
  • InChi: 1S/C9H13NO6P2/c1-10-4-2-3-7-5-9(6-8(7)10,17(11,12)13)18(14,15)16/h2-4H,5-6H2,1H3,(H3-,11,12,13,14,15,16)/p+1
  • InChiKey: NRWRVZGLUZEMJH-UHFFFAOYSA-O  


Substructure search Similarity search

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 Family T1, proteasome beta subunit, threonine peptidase 0.063 0.3546 0.3546
Mycobacterium ulcerans proteasome PrcB 0.1308 1 1
Plasmodium vivax proteasome subunit beta type-1, putative 0.1016 0.7224 0.7224
Echinococcus multilocularis proteasome (prosome, macropain) 0.1308 1 1
Trypanosoma brucei proteasome beta 6 subunit 0.1016 0.7224 0.7224
Trypanosoma cruzi 20S proteasome subunit 0.063 0.3546 0.3546
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.063 0.3546 0.3546
Loa Loa (eye worm) proteasome subunit beta type 2 0.063 0.3546 0.3546
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0465 0.1977 0.1977
Trypanosoma brucei proteasome subunit beta type-2, putative 0.063 0.3546 0.3546
Brugia malayi proteasome subunit beta type 1 0.1016 0.7224 0.7224
Mycobacterium leprae proteasome (beta subunit) PrcB 0.1308 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.1016 0.7224 0.7224
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1308 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0257 0 0.5
Entamoeba histolytica proteasome subunit beta type 1, putative 0.1016 0.7224 0.7224
Echinococcus granulosus proteasome prosome macropain subunit beta 0.1016 0.7224 0.7224
Plasmodium falciparum proteasome subunit beta type-5 0.1308 1 1
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.1308 1 1
Echinococcus granulosus proteasome prosome macropain 0.1308 1 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.1016 0.7224 0.7224
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.063 0.3546 0.3546
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0465 0.1977 0.1977
Toxoplasma gondii proteasome subunit beta type 2, putative 0.063 0.3546 0.3546
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.1308 1 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.1016 0.7224 0.7224
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.1308 1 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.1016 0.7224 0.7224
Plasmodium falciparum proteasome subunit beta type-1, putative 0.1016 0.7224 0.7224
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.1016 0.7224 0.7224
Echinococcus granulosus leukotriene A 4 hydrolase 0.0465 0.1977 0.1977
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.063 0.3546 0.3546
Leishmania major proteasome beta 5 subunit, putative 0.1308 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.1016 0.7224 0.7224
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.063 0.3546 0.3546
Toxoplasma gondii proteasome subunit beta type, putative 0.1308 1 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.1308 1 1
Plasmodium vivax proteasome subunit beta type-5, putative 0.1308 1 1
Giardia lamblia Proteasome subunit beta type 1 0.1016 0.7224 0.7224
Echinococcus granulosus proteasome prosome macropain subunit beta 0.063 0.3546 0.3546
Leishmania major proteasome beta 2 subunit, putative 0.063 0.3546 0.3546
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.1016 0.7224 0.7224
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.063 0.3546 0.3546
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.1016 0.7224 0.7224
Brugia malayi proteasome subunit beta type 2 0.063 0.3546 0.3546
Entamoeba histolytica probable proteasome subunit beta type 2, putative 0.063 0.3546 0.3546
Giardia lamblia Proteasome subunit beta type 2 0.063 0.3546 0.3546
Onchocerca volvulus Notchless protein homolog 0.0257 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0465 0.1977 0.1977
Plasmodium falciparum proteasome subunit beta type-2, putative 0.063 0.3546 0.3546
Giardia lamblia Proteasome subunit beta type 5 precursor 0.1308 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.1308 1 1
Trypanosoma brucei proteasome subunit beta type-5, putative 0.1308 1 1
Plasmodium vivax proteasome subunit beta type-2, putative 0.063 0.3546 0.3546
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.1308 1 1

Activities

Activity type Activity value Assay description Source Reference
LED (functional) = 0.1 mgP kg-1 Bone resorption activity in rats. ChEMBL. 12086477

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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