Detailed information for compound 1550979

Basic information

Technical information
  • TDR Targets ID: 1550979
  • Name: (4-ethoxyphenyl)-morpholin-4-ylmethanethione
  • MW: 251.345 | Formula: C13H17NO2S
  • H donors: 0 H acceptors: 0 LogP: 1.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)C(=S)N1CCOCC1
  • InChi: 1S/C13H17NO2S/c1-2-16-12-5-3-11(4-6-12)13(17)14-7-9-15-10-8-14/h3-6H,2,7-10H2,1H3
  • InChiKey: YREMXVDGMRQMJZ-UHFFFAOYSA-N  

Network

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Synonyms

  • (4-ethoxyphenyl)-morpholino-methanethione
  • (4-ethoxyphenyl)-morpholinomethanethione
  • (4-ethoxyphenyl)-morpholin-4-yl-methanethione
  • CBMicro_035913
  • BIM-0036025.P001
  • Oprea1_374781
  • STK221308
  • ZINC00445591
  • MLS000109094
  • SMR000105040

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
Leishmania major hypothetical protein, conserved 0.0039 0.2989 1
Echinococcus granulosus Upstream activation factor subunit UAF30 0.011 1 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2989 0.2989
Loa Loa (eye worm) hypothetical protein 0.0039 0.2989 0.2989
Trypanosoma cruzi WLM domain containing protein, putative 0.0039 0.2989 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0039 0.2989 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0356 0.0356
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2989 1
Leishmania major hypothetical protein, conserved 0.0039 0.2989 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.2989 0.273
Loa Loa (eye worm) hypothetical protein 0.0039 0.2989 0.2989
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.011 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2989 1
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.011 1 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0039 0.2989 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0039 0.2989 1
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.2989 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.2989 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2989 0.2989
Trypanosoma brucei hypothetical protein, conserved 0.0039 0.2989 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.011 1 1
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.011 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0356 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0039 0.2989 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2989 0.2989
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0356 0.0356
Echinococcus granulosus SWI:SNF matrix associated 0.011 1 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.011 1 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.2989 0.273
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0039 0.2989 1
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0039 0.2989 1
Echinococcus multilocularis SWI:SNF matrix associated 0.011 1 1
Plasmodium vivax hypothetical protein, conserved 0.011 1 0.5
Schistosoma mansoni brg-1 associated factor 0.011 1 1
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0039 0.2989 1
Trichomonas vaginalis conserved hypothetical protein 0.011 1 0.5
Leishmania major hypothetical protein, conserved 0.0039 0.2989 1
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.011 1 1
Brugia malayi YY1-associated factor 2 0.0039 0.2989 0.273
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.2989 0.273
Leishmania major hypothetical protein, conserved 0.0039 0.2989 1
Echinococcus multilocularis SWI:SNF matrix associated 0.011 1 1
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0039 0.2989 1
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0356 0.0356
Loa Loa (eye worm) brahma associated protein 0.011 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.011 1 0.5
Echinococcus multilocularis SWI:SNF matrix associated 0.011 1 1
Chlamydia trachomatis SWIB complex protein 0.011 1 0.5
Brugia malayi brahma associated protein 60 kDa 0.011 1 1
Leishmania major hypothetical protein, conserved 0.0039 0.2989 1
Brugia malayi SWIB/MDM2 domain containing protein 0.011 1 1
Schistosoma mansoni hypothetical protein 0.011 1 1
Onchocerca volvulus 0.011 1 1
Chlamydia trachomatis DNA topoisomerase I 0.011 1 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0039 0.2989 0.273

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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.

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