Detailed information for compound 1067097

Basic information

Technical information
  • TDR Targets ID: 1067097
  • Name: [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizi n-1-yl]methyl N-(3-fluorophenoxy)sulfonylcarb amate
  • MW: 386.438 | Formula: C17H23FN2O5S
  • H donors: 1 H acceptors: 3 LogP: 3.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NS(=O)(=O)Oc1cccc(c1)F)OC[C@@H]1CCCN2C1CCCC2
  • InChi: 1S/C17H23FN2O5S/c18-14-6-3-7-15(11-14)25-26(22,23)19-17(21)24-12-13-5-4-10-20-9-2-1-8-16(13)20/h3,6-7,11,13,16H,1-2,4-5,8-10,12H2,(H,19,21)/t13-,16?/m0/s1
  • InChiKey: BGRDYKMAFKWCTO-KNVGNIICSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-fluorophenoxy)sulfonylcarbamic acid [(1R)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl ester
  • N-(3-fluorophenoxy)sulfonylcarbamic acid [(1R)-quinolizidin-1-yl]methyl ester
  • A3112/0131816

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
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Mycobacterium ulcerans peptide deformylase 0.0181 1 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0 0.5
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0181 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0 0.5
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0181 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0069 0.2654 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0029 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0 0.5
Plasmodium vivax peptide deformylase, putative 0.0181 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0029 0 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0069 0.2654 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Trypanosoma brucei Polypeptide deformylase 1 0.0069 0.2654 0.5
Schistosoma mansoni thyroid hormone receptor 0.0029 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0029 0 0.5
Treponema pallidum polypeptide deformylase (def) 0.0181 1 0.5
Trypanosoma cruzi Peptide deformylase 2, putative 0.0069 0.2654 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0181 1 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0029 0 0.5
Trypanosoma brucei Peptide deformylase 2 0.0069 0.2654 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0029 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0069 0.2654 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0069 0.2654 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0 0.5
Brugia malayi ecdysteroid receptor 0.0029 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0 0.5
Toxoplasma gondii hypothetical protein 0.0181 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0 0.5
Onchocerca volvulus 0.0029 0 0.5
Brugia malayi nuclear hormone receptor 0.0029 0 0.5
Brugia malayi steroid hormone receptor 0.0029 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0 0.5
Plasmodium falciparum peptide deformylase 0.0181 1 0.5
Schistosoma mansoni coup transcription factor 0.0029 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 16.5113 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.

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