Detailed information for compound 260559

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 234.278 | Formula: C10H10N4OS
  • H donors: 3 H acceptors: 3 LogP: 1.55 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c(c(n1)O)Sc1ccccc1
  • InChi: 1S/C10H10N4OS/c11-8-7(9(15)14-10(12)13-8)16-6-4-2-1-3-5-6/h1-5H,(H5,11,12,13,14,15)
  • InChiKey: MUXJNWHGUJIRRV-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Phenylalanine-4-hydroxylase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major phenylalanine-4-hydroxylase,phenylalanine-4-hydroxylase, putative Get druggable targets OG5_131392 All targets in OG5_131392
Toxoplasma gondii aromatic amino acid hydrolase AAH1 Get druggable targets OG5_131392 All targets in OG5_131392
Toxoplasma gondii aromatic amino acid hydrolase AAH2 Get druggable targets OG5_131392 All targets in OG5_131392
Leishmania braziliensis phenylalanine-4-hydroxylase, putative;with=GeneDB:LmjF28.1280 Get druggable targets OG5_131392 All targets in OG5_131392
Neospora caninum hypothetical protein Get druggable targets OG5_131392 All targets in OG5_131392
Toxoplasma gondii phenylalanine-4-hydroxylase Get druggable targets OG5_131392 All targets in OG5_131392
Leishmania infantum phenylalanine-4-hydroxylase, putative Get druggable targets OG5_131392 All targets in OG5_131392
Leishmania donovani phenylalanine-4-hydroxylase, putative Get druggable targets OG5_131392 All targets in OG5_131392
Leishmania mexicana phenylalanine-4-hydroxylase, putative Get druggable targets OG5_131392 All targets in OG5_131392

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K00502 tryptophan 5-monooxygenase [EC1.14.16.4], putative Phenylalanine-4-hydroxylase   453 aa 437 aa 48.5 %
Brugia malayi Biopterin-dependent aromatic amino acid hydroxylase family protein Phenylalanine-4-hydroxylase   453 aa 455 aa 40.9 %
Onchocerca volvulus Putative carbonic anhydrase-like protein 2 Phenylalanine-4-hydroxylase   453 aa 462 aa 39.0 %
Loa Loa (eye worm) tryptophan hydroxylase 1 Phenylalanine-4-hydroxylase   453 aa 431 aa 42.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii aromatic amino acid hydrolase AAH1 0.023 0.8069 0.8069
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.013 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0 0.5
Leishmania major phenylalanine-4-hydroxylase,phenylalanine-4-hydroxylase, putative 0.023 0.8069 1
Schistosoma mansoni aldehyde dehydrogenase 0.013 0 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.013 0 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.013 0 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.013 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.013 0 0.5
Toxoplasma gondii phenylalanine-4-hydroxylase 0.0253 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 4.7 uM Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver ChEMBL. 6834389
Ki (binding) = 4.7 uM Tested for competitive binding inhibition against phenylalanine hydroxylase in rat liver ChEMBL. 6834389

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.

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