Detailed information for compound 24826

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 185.224 | Formula: C8H15N3O2
  • H donors: 3 H acceptors: 2 LogP: 0.59 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N[C@H]1CCCC[C@H]1C(=O)O
  • InChi: 1S/C8H15N3O2/c9-8(10)11-6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)(H4,9,10,11)/t5-,6+/m1/s1
  • InChiKey: DLZTURIPRCZIJQ-RITPCOANSA-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
Echinococcus multilocularis serotonin receptor 0.0427 0.0073 0.0053
Loa Loa (eye worm) hypothetical protein 0.0427 0.0073 0.0074
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 1.5674 1 0.5
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 1.5674 1 0.5
Onchocerca volvulus 1.5541 0.9914 0.5
Mycobacterium ulcerans thymidylate synthase 1.5541 0.9914 1
Loa Loa (eye worm) hypothetical protein 0.0351 0.0024 0.0024
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 1.5674 1 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 1.5541 0.9914 1
Schistosoma mansoni amine GPCR 0.0395 0.0052 0.0031
Brugia malayi thymidylate synthase 1.5541 0.9914 1
Brugia malayi hypothetical protein 0.7393 0.4609 0.4638
Echinococcus granulosus biogenic amine 5HT receptor 0.0427 0.0073 0.0053
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 1.5674 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.0347 0.0021 0.0022
Loa Loa (eye worm) hypothetical protein 0.0351 0.0024 0.0024
Trichomonas vaginalis conserved hypothetical protein 0.7393 0.4609 0.5
Echinococcus multilocularis thymidylate synthase 1.5541 0.9914 1
Chlamydia trachomatis dihydrofolate reductase 0.0347 0.0021 0.5
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 1.5674 1 0.5
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0351 0.0024 0.0003
Echinococcus granulosus thymidylate synthase 1.5541 0.9914 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0427 0.0073 0.0053
Loa Loa (eye worm) thymidylate synthase 1.5541 0.9914 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 1.5541 0.9914 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 1.5541 0.9914 1
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0351 0.0024 0.0003
Loa Loa (eye worm) hypothetical protein 0.0427 0.0073 0.0074
Echinococcus multilocularis serotonin receptor 0.0427 0.0073 0.0053
Mycobacterium tuberculosis Hypothetical protein 0.7393 0.4609 0.4638

Activities

Activity type Activity value Assay description Source Reference
MISS T/C (functional) = 0.92 In vivo blood glucose was determined in obese, hyperglycemic, hyperinsulinemic, insulin-resistant KKAy mice after a dose of 500 mg/kg for 4 days ChEMBL. 11312922

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.

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