Detailed information for compound 37694

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 179.068 | Formula: C4H6NO5P
  • H donors: 4 H acceptors: 5 LogP: -4.7 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(C#CP(=O)(O)O)N
  • InChi: 1S/C4H6NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,5H2,(H,6,7)(H2,8,9,10)
  • InChiKey: KOSBXQRUOYCLQQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0107 0.236 0.4682
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0165 0.4638 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.4357 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.372 0.3643
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0057 0.0355 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.2013 0.41
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.2013 0.389
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0165 0.4638 1
Echinococcus granulosus dUTP pyrophosphatase 0.0165 0.4638 1
Entamoeba histolytica hypothetical protein 0.0165 0.4638 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0768 0.0991
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0165 0.4638 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 1 1
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0057 0.0355 0.0032
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0165 0.4638 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0299 1 1
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0057 0.0355 0.0032
Schistosoma mansoni hypothetical protein 0.0068 0.0768 0.0991
Echinococcus multilocularis dUTP pyrophosphatase 0.0165 0.4638 1
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0165 0.4638 0.5
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0165 0.4638 1
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0057 0.0355 0.0032
Loa Loa (eye worm) hypothetical protein 0.0068 0.0768 0.13
Entamoeba histolytica hypothetical protein 0.0165 0.4638 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0165 0.4638 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0165 0.4638 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0299 1 1
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0165 0.4638 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0165 0.4638 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.372 0.3498
Entamoeba histolytica hypothetical protein 0.0107 0.236 0.4682
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0165 0.4638 0.5
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0165 0.4638 0.5
Mycobacterium ulcerans hypothetical protein 0.0158 0.4357 1
Brugia malayi dUTP diphosphatase 0.0165 0.4638 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.2013 0.41
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0165 0.4638 0.5
Loa Loa (eye worm) dUTP diphosphatase 0.0165 0.4638 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.2013 0.389
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0165 0.4638 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.45 uM Ability to displace [3H]-CPP from NMDA receptor in rat brain membrane ChEMBL. 1533422
IC50 (binding) = 0.45 uM Ability to displace [3H]-CPP from NMDA receptor in rat brain membrane ChEMBL. 1533422

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.