Detailed information for compound 1403601

Basic information

Technical information
  • TDR Targets ID: 1403601
  • Name: 4-[[1-(2-methoxyethyl)tetrazol-5-yl]-[4-(trif luoromethyl)phenyl]methyl]morpholine
  • MW: 371.358 | Formula: C16H20F3N5O2
  • H donors: 0 H acceptors: 3 LogP: 1.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1nnnc1C(c1ccc(cc1)C(F)(F)F)N1CCOCC1
  • InChi: 1S/C16H20F3N5O2/c1-25-9-8-24-15(20-21-22-24)14(23-6-10-26-11-7-23)12-2-4-13(5-3-12)16(17,18)19/h2-5,14H,6-11H2,1H3
  • InChiKey: ZNCBYMPLLHFCPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[1-(2-methoxyethyl)-5-tetrazolyl]-[4-(trifluoromethyl)phenyl]methyl]morpholine
  • 4-[[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]morpholine
  • ASN 07879056
  • MLS000529570
  • SMR000122045
  • 4-[[1-(2-Methoxy-ethyl)-1H-tetrazol-5-yl]-(4-trifluoromethyl-phenyl)-methyl]-morpholine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No 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 protein kinase, putative 0.006 0.0763 0.5
Entamoeba histolytica protein kinase , putative 0.006 0.0763 0.5
Giardia lamblia Aurora kinase 0.006 0.0763 0.5
Toxoplasma gondii aurora kinase 0.006 0.0763 1
Loa Loa (eye worm) AUR protein kinase 0.006 0.0763 0.0763
Mycobacterium tuberculosis Conserved hypothetical protein 0.0147 0.2836 0.5
Brugia malayi serine/threonine protein kinase 6 0.006 0.0763 0.0763
Loa Loa (eye worm) AUR protein kinase 0.006 0.0763 0.0763
Brugia malayi Cytochrome P450 family protein 0.004 0.0294 0.0294
Brugia malayi serine/threonine kinase 12 0.006 0.0763 0.0763
Trichomonas vaginalis AGC family protein kinase 0.006 0.0763 0.5
Plasmodium falciparum serine/threonine protein kinase, putative 0.006 0.0763 1
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0294 0.0294
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0071 0.0932
Echinococcus multilocularis rho associated protein kinase 0.0147 0.2847 1
Mycobacterium leprae CONSERVED HYPOTHETICAL PROTEIN 0.0147 0.2836 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0147 0.2847 1
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.006 0.0763 0.5
Entamoeba histolytica protein kinase, putative 0.006 0.0763 0.5
Trichomonas vaginalis AGC family protein kinase 0.006 0.0763 0.5
Trichomonas vaginalis AGC family protein kinase 0.006 0.0763 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.006 0.0763 1
Trichomonas vaginalis AGC family protein kinase 0.006 0.0763 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0071 0.0932
Mycobacterium ulcerans hypothetical protein 0.0147 0.2836 1
Loa Loa (eye worm) AUR protein kinase 0.006 0.0763 0.0763
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0071 0.0932
Trypanosoma cruzi aurora B kinase, putative 0.006 0.0763 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.006 0.0763 0.5
Onchocerca volvulus 0.0147 0.2847 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0071 0.0071
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.006 0.0763 0.5
Leishmania major protein kinase, putative 0.006 0.0763 1
Brugia malayi serine/threonine-protein kinase 6 0.006 0.0763 0.0763
Entamoeba histolytica protein kinase domain containing protein 0.006 0.0763 0.5
Trypanosoma brucei aurora B kinase 0.006 0.0763 1
Leishmania major hypothetical protein, conserved 0.003 0.0071 0.0932
Brugia malayi hypothetical protein 0.003 0.0071 0.0071
Echinococcus granulosus rho-associated protein kinase 1 0.0147 0.2847 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5733 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.99 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.