Detailed information for compound 226734

Basic information

Technical information
  • TDR Targets ID: 226734
  • Name: 5-[(Z)-[phenyl(pyridazin-3-yl)methylidene]ami no]oxypentanoic acid
  • MW: 299.324 | Formula: C16H17N3O3
  • H donors: 1 H acceptors: 4 LogP: 2.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCO/N=C(\c1cccnn1)/c1ccccc1
  • InChi: 1S/C16H17N3O3/c20-15(21)10-4-5-12-22-19-16(13-7-2-1-3-8-13)14-9-6-11-17-18-14/h1-3,6-9,11H,4-5,10,12H2,(H,20,21)/b19-16-
  • InChiKey: OOVIRZPRGTZZNQ-MNDPQUGUSA-N  

Network

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Synonyms

  • 5-[(Z)-[phenyl(pyridazin-3-yl)methylene]amino]oxypentanoic acid
  • 5-[(Z)-[phenyl(3-pyridazinyl)methylene]amino]oxypentanoic acid
  • 5-[(Z)-[phenyl(pyridazin-3-yl)methylene]amino]oxyvaleric acid

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
Entamoeba histolytica adenosine deaminase, putative 0.1396 1 1
Trypanosoma cruzi adenosine monophosphate deaminase, putative 0.0931 0.2039 0.5
Plasmodium falciparum adenosine deaminase 0.1396 1 1
Mycobacterium leprae Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE) 0.1396 1 0.5
Onchocerca volvulus Adenosine deaminase homolog 0.1396 1 1
Schistosoma mansoni adenosine deaminase 0.1396 1 1
Echinococcus granulosus adenosine deaminase 0.1396 1 1
Treponema pallidum adenosine deaminase 0.1396 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.1396 1 1
Trypanosoma brucei AMP deaminase, putative 0.0931 0.2039 0.5
Schistosoma mansoni adenosine deaminase-related 0.1396 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0931 0.2039 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0931 0.2039 0.5
Mycobacterium ulcerans adenosine deaminase 0.1396 1 0.5
Echinococcus multilocularis adenosine deaminase 0.1396 1 1
Loa Loa (eye worm) AMP deaminase 0.0931 0.2039 0.2039
Trypanosoma brucei adenosine monophosphate deaminase, putative 0.0931 0.2039 0.5
Entamoeba histolytica adenosine deaminase, putative 0.1396 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0931 0.2039 0.5
Trichomonas vaginalis adenosine deaminase, putative 0.1396 1 0.5
Toxoplasma gondii Adenosine/AMP deaminase domain-containing protein 0.1396 1 1
Plasmodium vivax adenosine deaminase, putative 0.1396 1 1
Loa Loa (eye worm) hypothetical protein 0.1396 1 1
Trypanosoma cruzi AMP deaminase, putative 0.0931 0.2039 0.5
Trypanosoma brucei AMP deaminase, putative 0.0931 0.2039 0.5
Leishmania major adenine aminohydrolase 0.1396 1 1
Trichomonas vaginalis adenosine deaminase, putative 0.1396 1 0.5
Trypanosoma cruzi adenosine monophosphate deaminase-like protein, putative 0.0931 0.2039 0.5
Trypanosoma cruzi AMP deaminase, putative 0.0931 0.2039 0.5
Mycobacterium tuberculosis Probable adenosine deaminase Add (adenosine aminohydrolase) 0.1396 1 0.5
Trypanosoma brucei AMP deaminase, putative 0.0931 0.2039 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 217 uM Inhibition of collagen-induced platelet aggregation in human platelet rich plasma ChEMBL. 8831771
EC50 (functional) = 217 uM Inhibition of collagen-induced platelet aggregation in human platelet rich plasma ChEMBL. 8831771
IC50 (functional) = 71 uM TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets ChEMBL. 8831771
IC50 (functional) = 71 uM TXA2 receptor antagonism, measured by the displacement of [3H]SQ29,548 from the PGH-2/TXA-2 receptor on human platelets ChEMBL. 8831771
IC50 (binding) > 100 uM TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid ChEMBL. 8831771
IC50 (binding) > 100 uM TXA2 synthetase inhibition measured by the inhibition of TXB2 formation by human gel-filtered platelets incubated with [14C]-arachidonic acid ChEMBL. 8831771

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

1 literature reference was collected for this gene.

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