Detailed information for compound 253048

Basic information

Technical information
  • TDR Targets ID: 253048
  • Name: 1-hydroxy-1-(6-phenylmethoxy-1,2,3,4-tetrahyd ronaphthalen-1-yl)urea
  • MW: 312.363 | Formula: C18H20N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N(C1CCCc2c1ccc(c2)OCc1ccccc1)O
  • InChi: 1S/C18H20N2O3/c19-18(21)20(22)17-8-4-7-14-11-15(9-10-16(14)17)23-12-13-5-2-1-3-6-13/h1-3,5-6,9-11,17,22H,4,7-8,12H2,(H2,19,21)
  • InChiKey: HGXVXGSOOPCMHM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(6-benzyloxytetralin-1-yl)-1-hydroxy-urea
  • 1-(6-benzyloxy-1-tetralinyl)-1-hydroxyurea
  • 1-(6-benzoxytetralin-1-yl)-1-hydroxy-urea
  • SK&F 107649
  • 1-hydroxy-1-[6-(phenylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
  • 1-hydroxy-1-[6-(phenylmethoxy)tetralin-1-yl]urea
  • 1-hydroxy-1-[6-(phenylmethoxy)-1-tetralinyl]urea
  • 1-[6-(benzyloxy)tetralin-1-yl]-1-hydroxy-urea
  • 139148-95-1
  • SK&F-107649
  • N-Hydroxy-N-(1,2,3,4-tetrahydro-6-(phenylmethoxy)-1-naphthalenyl)urea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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 ras-1, putative 0.0236 1 0.5
Entamoeba histolytica Ras family GTPase 0.0236 1 0.5
Trichomonas vaginalis GTP-binding protein rit, putative 0.0236 1 0.5
Trichomonas vaginalis dexras1, putative 0.0236 1 0.5
Brugia malayi Ras-related protein R-Ras2 0.0236 1 0.5
Trichomonas vaginalis rheb, putative 0.0236 1 0.5
Loa Loa (eye worm) Ras protein let-60 0.0236 1 0.5
Schistosoma mansoni lipoxygenase 0.0142 0.3148 1
Trichomonas vaginalis ras-dva small GTPase, putative 0.0236 1 0.5
Trichomonas vaginalis ral, putative 0.0236 1 0.5
Echinococcus multilocularis ras gtpase 0.0236 1 1
Loa Loa (eye worm) hypothetical protein 0.0236 1 0.5
Trichomonas vaginalis rap1 and, putative 0.0236 1 0.5
Echinococcus granulosus ras gtpase 0.0236 1 1
Entamoeba histolytica Ras family GTPase 0.0236 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = -67 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
Activity (functional) = -67 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
Activity (functional) = 6.6 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
Activity (functional) = 6.6 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
Activity (functional) = 28 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
Activity (functional) = 28 % Inhibition of leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo, activity expressed as percent of control. ChEMBL. 8978834
clogP = 5.3 Calculated partition coefficient, excluding hydroxyurea fragment (clogP) ChEMBL. 8978834
ED50 (functional) = 9.9 mg kg-1 Compound was tested to inhibit Leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo ChEMBL. 8978834
ED50 (functional) = 9.9 mg kg-1 Compound was tested to inhibit Leukotriene formation in A-23,187-stimulated mouse whole blood using LTB4 specific RIA ex vivo ChEMBL. 8978834
IC50 (binding) = 0.76 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
IC50 (binding) = 0.76 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
IC50 (binding) = 1.3 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
IC50 (binding) = 1.3 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
IC50 (binding) = 1.8 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
IC50 (binding) = 1.8 uM Inhibitory activity against rat 5-lipoxygenase by using continuous oxygen consumption assay. ChEMBL. 8978834
Inhibition (functional) = 67 % Percentage inhibition of LTB4 formation after 6 hr in mouse ChEMBL. 8978834
Inhibition (functional) = 67 % Percentage inhibition of LTB4 formation after 6 hr in mouse ChEMBL. 8978834
Max inhibition (functional) = 61 Maximum inhibition of LTB4 formation at dose 15 mg/kg in mouse ChEMBL. 8978834

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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