Detailed information for compound 284560

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 281.268 | Formula: C11H15N5O4
  • H donors: 4 H acceptors: 6 LogP: -2.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1OC([C@H]([C@@H]1O)O)c1nn(c2c1ncnc2N)C
  • InChi: 1S/C11H15N5O4/c1-16-7-5(13-3-14-11(7)12)6(15-16)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,13,14)/t4?,8?,9-,10?/m0/s1
  • InChiKey: MTJRJNHWOVXLLF-GHWBGQIJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Echinococcus granulosus poly ADP ribose polymerase 1 0.0302 0.9481 1
Trypanosoma brucei poly(adp-ribose) polymerase 0.0166 0.351 1
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0166 0.351 1
Loa Loa (eye worm) hypothetical protein 0.023 0.6317 1
Mycobacterium ulcerans peptide deformylase 0.0226 0.6112 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0226 0.6112 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0226 0.6112 0.5
Brugia malayi WGR domain containing protein 0.0302 0.9481 1
Chlamydia trachomatis peptide deformylase 0.0226 0.6112 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0166 0.351 0.1413
Plasmodium falciparum peptide deformylase 0.0226 0.6112 0.5
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0302 0.9481 0.5
Plasmodium vivax peptide deformylase, putative 0.0226 0.6112 0.5
Echinococcus granulosus poly adp ribose polymerase 2 0.0166 0.351 0.3464
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0302 0.9481 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0302 0.9481 1
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0226 0.6112 0.5
Loa Loa (eye worm) hypothetical protein 0.0166 0.351 0.423
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0166 0.351 1
Treponema pallidum polypeptide deformylase (def) 0.0226 0.6112 0.5

Activities

Activity type Activity value Assay description Source Reference
Rating (functional) = 0 Virus rating against rhinovirus type 1A ChEMBL. 2539476
Rating (functional) = 0 Virus rating against adenovirus type 2 ChEMBL. 2539476
Rating (functional) = 0.2 Virus rating of against herpes simplex virus type 2 ChEMBL. 2539476
Rating (functional) = 0.86 Virus rating against parainfluenza virus type 3 ChEMBL. 2539476

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.