Detailed information for compound 1384089

Basic information

Technical information
  • TDR Targets ID: 1384089
  • Name: 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzen esulfonamide
  • MW: 354.372 | Formula: C16H16F2N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)F)S(=O)(=O)Nc1ccc(cc1)N1CCOCC1
  • InChi: 1S/C16H16F2N2O3S/c17-12-1-6-16(15(18)11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
  • InChiKey: APIPENOFULMXFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-difluoro-N-(4-morpholinophenyl)benzenesulfonamide
  • ZINC03282767
  • MLS001003168
  • SMR000372805
  • T0514-7929

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
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0858 1 0.5
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0858 1 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0858 1 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0217 0 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0217 0 0.5
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0858 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0217 0 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0858 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0858 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0858 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0217 0 0.5
Leishmania major farnesyl pyrophosphate synthase 0.0858 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0858 1 0.5
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0858 1 1
Loa Loa (eye worm) polyprenyl synthetase 0.0858 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0217 0 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0858 1 1
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0858 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0217 0 0.5
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0858 1 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0858 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.0858 1 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0858 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0858 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0217 0 0.5
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0217 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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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