Detailed information for compound 1914151

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.23 | Formula: C12H14N3O5P
  • H donors: 3 H acceptors: 4 LogP: 0.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][n+]1ccccc1/C=N/NP(=O)(Oc1ccccc1)O.O
  • InChi: 1S/C12H12N3O4P.H2O/c16-15-9-5-4-6-11(15)10-13-14-20(17,18)19-12-7-2-1-3-8-12;/h1-10H,(H2,14,17,18);1H2/b13-10+;
  • InChiKey: BSCYFKOAMLNKJV-RSGUCCNWSA-N  


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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Trichomonas vaginalis chaperonin-60kD, ch60, putative 0.0028 0.5081 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 1 1
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.5081 0.5081
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.5081 0.5081
Onchocerca volvulus 0.0002 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 1 1
Onchocerca volvulus 0.0002 0 0.5
Trypanosoma brucei T-complex protein 1, beta subunit, putative 0.0028 0.5081 0.5
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.5081 0.5081
Echinococcus multilocularis chaperonin containing TCP1, subunit 2 (beta) 0.0028 0.5081 0.5081
Brugia malayi T-complex protein 1, beta subunit 0.0028 0.5081 0.5081
Echinococcus granulosus chaperonin containing TCP1 subunit 2 beta 0.0028 0.5081 0.5081
Plasmodium falciparum T-complex protein 1 subunit beta 0.0028 0.5081 0.5
Loa Loa (eye worm) T-complex protein 1 0.0028 0.5081 0.5081
Trichomonas vaginalis chaperonin, putative 0.0028 0.5081 1
Leishmania major T-complex protein 1, beta subunit, putative 0.0028 0.5081 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 1 1
Toxoplasma gondii t-complex protein beta subunit 0.0028 0.5081 0.5
Plasmodium vivax T-complex protein 1 subunit beta, putative 0.0028 0.5081 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Onchocerca volvulus 0.0002 0 0.5
Schistosoma mansoni chaperonin containing t-complex protein 1 beta subunit tcpb 0.0028 0.5081 0.5081
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 1 1
Entamoeba histolytica T-complex protein 1 beta subunit, putative 0.0028 0.5081 1
Trypanosoma cruzi T-complex protein 1, beta subunit, putative 0.0028 0.5081 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 1 1
Giardia lamblia TCP-1 chaperonin subunit beta 0.0028 0.5081 0.5

Activities

Activity type Activity value Assay description Source Reference
T/C (functional) = 118 % Antitumor activity against mouse Ehrlich ascites carcinoma cells allografted in mouse assessed as host survival time at 100 mg/kg administered qd for 6 days beginning 24 hrs after tumor implantation relative to control ChEMBL. 722720

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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