Detailed information for compound 274348

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.353 | Formula: C16H19N5O5
  • H donors: 3 H acceptors: 5 LogP: 2.32 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)OCCCNc1nc(N)nc(c1N=O)O
  • InChi: 1S/C16H19N5O5/c1-2-25-15(23)10-4-6-11(7-5-10)26-9-3-8-18-13-12(21-24)14(22)20-16(17)19-13/h4-7H,2-3,8-9H2,1H3,(H4,17,18,19,20,22)
  • InChiKey: JPUBLPOEDCMKQP-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
Escherichia coli 7,8-dihydropteroate synthase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax hydroxymethylpterin pyrophosphokinase-dihydropteroate synthetase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Toxoplasma gondii dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803
Mycobacterium ulcerans dihydropteroate synthase 1 FolP1 Get druggable targets OG5_128803 All targets in OG5_128803
Neospora caninum Dihydropteroate synthase, related Get druggable targets OG5_128803 All targets in OG5_128803
Mycobacterium leprae Probable dihydropteroate synthase 1 FolP1 (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate dipyrophosphorylase 1) Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium berghei hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Mycobacterium tuberculosis Dihydropteroate synthase 1 FolP (DHPS 1) (dihydropteroate pyrophosphorylase 1) (dihydropteroate diphosphorylase 1) Get druggable targets OG5_128803 All targets in OG5_128803
Candida albicans likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis Get druggable targets OG5_128803 All targets in OG5_128803
Chlamydia trachomatis bifunctional 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase/dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium yoelii hypothetical protein Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium knowlesi hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Candida albicans likely pterin binding enzyme similar to S. cerevisiae FOL1 (YNL256W) involved in folic acid and derivative biosynthesis Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium yoelii dihydropteroate synthase, putative Get druggable targets OG5_128803 All targets in OG5_128803
Plasmodium falciparum hydroxymethyldihydropterin pyrophosphokinase-dihydropteroate synthase Get druggable targets OG5_128803 All targets in OG5_128803

By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Activities

Activity type Activity value Assay description Source Reference
I50 (functional) = 2.9 uM In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50% ChEMBL. 3486292
IC50 (functional) = 2.9 uM In vitro concentration required to inhibit partially purified dihydropteroate synthase of Escherichia coli by 50% ChEMBL. 3486292

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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