Detailed information for compound 1712261

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 439.549 | Formula: C21H37N5O5
  • H donors: 1 H acceptors: 5 LogP: 0.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H](N1C[C@@H](C)[C@@H](OCc2cn(CCCC1=O)nn2)CN(C(=O)OCC(C)C)C)C
  • InChi: 1S/C21H37N5O5/c1-15(2)13-31-21(29)24(5)11-19-16(3)9-26(17(4)12-27)20(28)7-6-8-25-10-18(14-30-19)22-23-25/h10,15-17,19,27H,6-9,11-14H2,1-5H3/t16-,17+,19+/m1/s1
  • InChiKey: UOJDQXZVAPFQKD-AOIWGVFYSA-N  

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
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Onchocerca volvulus Peroxidase homolog 0.0064 0.416 0.5
Echinococcus multilocularis peroxidasin 0.0064 0.416 0.416
Onchocerca volvulus Peroxidase homolog 0.0064 0.416 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Onchocerca volvulus Peroxidasin homolog 0.0064 0.416 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Echinococcus multilocularis tar DNA binding protein 0.0076 1 1
Brugia malayi Blistered cuticle protein 3 0.0064 0.416 0.416
Brugia malayi Peroxidasin 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.416 0.416
Brugia malayi RNA recognition motif domain containing protein 0.0076 1 1
Brugia malayi Animal haem peroxidase family protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Onchocerca volvulus Chorion peroxidase homolog 0.0064 0.416 0.5
Echinococcus granulosus peroxidasin 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Onchocerca volvulus 0.0064 0.416 0.5
Onchocerca volvulus Dual oxidase homolog 0.0064 0.416 0.5
Brugia malayi hypothetical protein 0.0064 0.416 0.416
Schistosoma mansoni peroxidasin 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.416 0.416
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus 0.0064 0.416 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Loa Loa (eye worm) blistered cuticle protein 3 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Brugia malayi Animal haem peroxidase family protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Onchocerca volvulus Peroxidasin homolog 0.0064 0.416 0.5
Schistosoma mansoni peroxidasin 0.0064 0.416 0.416
Loa Loa (eye worm) RNA binding protein 0.0076 1 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Brugia malayi TAR-binding protein 0.0076 1 1
Brugia malayi Animal haem peroxidase family protein 0.0064 0.416 0.416
Brugia malayi Animal haem peroxidase family protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Brugia malayi Animal haem peroxidase family protein 0.0064 0.416 0.416
Loa Loa (eye worm) hypothetical protein 0.0064 0.416 0.416
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1
Onchocerca volvulus 0.0064 0.416 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0064 0.416 0.416
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 1 1
Echinococcus granulosus tar DNA binding protein 0.0076 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. 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.

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