Detailed information for compound 1301500

Basic information

Technical information
  • TDR Targets ID: 1301500
  • Name: 5,6-bis(4-methylpiperazin-1-yl)-[1,2,5]oxadia zolo[3,4-e]pyrazine
  • MW: 318.377 | Formula: C14H22N8O
  • H donors: 0 H acceptors: 4 LogP: 0.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1nc2nonc2nc1N1CCN(CC1)C
  • InChi: 1S/C14H22N8O/c1-19-3-7-21(8-4-19)13-14(22-9-5-20(2)6-10-22)16-12-11(15-13)17-23-18-12/h3-10H2,1-2H3
  • InChiKey: QVCKFMWZMITHFC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5,6-bis(4-methyl-1-piperazinyl)-[1,2,5]oxadiazolo[3,4-e]pyrazine
  • 5,6-bis(4-methylpiperazin-1-yl)furazano[3,4-e]pyrazine
  • BAS 04241092
  • Oprea1_643865
  • 5,6-Bis-(4-methyl-piperazin-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
  • MLS000031647
  • SMR000012770
  • 5,6-Bis(4-methylpiperazin-1-yl)-[1,2,5]oxadiazolo-[3,4-b]pyrazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0026 0.2514 1
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.2514 0.3971
Echinococcus multilocularis lamin 0.0026 0.2514 0.2514
Brugia malayi Doublecortin family protein 0.0024 0.2064 0.3178
Brugia malayi hypothetical protein 0.0024 0.2064 0.3178
Echinococcus granulosus lamin dm0 0.0026 0.2514 0.2514
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.594 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.2514 0.4233
Loa Loa (eye worm) hypothetical protein 0.0024 0.2064 0.3474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.594 0.4884
Loa Loa (eye worm) doublecortin family protein 0.0024 0.2064 0.3474
Loa Loa (eye worm) hypothetical protein 0.0026 0.2514 0.4233
Onchocerca volvulus 0.0026 0.2514 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.594 0.4884
Loa Loa (eye worm) hypothetical protein 0.0026 0.2425 0.4083
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 1 1
Schistosoma mansoni lamin 0.0026 0.2514 0.0568
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.594 0.4884
Schistosoma mansoni intermediate filament proteins 0.0026 0.2514 0.0568
Echinococcus granulosus lamin 0.0026 0.2514 0.2514
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.2064 0.2064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.594 0.594
Echinococcus granulosus RUN 0.0024 0.2064 0.2064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.594 0.594
Loa Loa (eye worm) hypothetical protein 0.0024 0.2064 0.3474
Echinococcus multilocularis lamin dm0 0.0026 0.2514 0.2514
Brugia malayi hypothetical protein 0.0024 0.2064 0.3178
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0258 0.0434
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.2064 0.5
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.2064 0.2064
Echinococcus granulosus intermediate filament protein 0.0026 0.2514 0.2514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.594 0.594
Brugia malayi intermediate filament protein 0.0026 0.2514 0.3971
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.2064 0.2064
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.2064 0.2064
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.2064 0.2064
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.594 1
Schistosoma mansoni lipoxygenase 0.0067 1 1
Schistosoma mansoni lamin 0.0026 0.2514 0.0568
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.2064 0.5
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.2064 0.2064
Echinococcus multilocularis musashi 0.0026 0.2514 0.2514
Loa Loa (eye worm) intermediate filament protein 0.0026 0.2514 0.4233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.594 0.594
Echinococcus multilocularis RUN 0.0024 0.2064 0.2064

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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.