Detailed information for compound 1538646

Basic information

Technical information
  • TDR Targets ID: 1538646
  • Name: N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylam ino)ethyl]sulfinylacetamide
  • MW: 335.353 | Formula: C15H14FN3O3S
  • H donors: 3 H acceptors: 4 LogP: 1.79 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+](CC(=O)Nc1cccnc1)CC(=O)Nc1ccc(cc1)F
  • InChi: 1S/C15H14FN3O3S/c16-11-3-5-12(6-4-11)18-14(20)9-23(22)10-15(21)19-13-2-1-7-17-8-13/h1-8H,9-10H2,(H,18,20)(H,19,21)
  • InChiKey: HFHPQAOXQJHQGS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-2-[2-oxo-2-(3-pyridylamino)ethyl]sulfinyl-acetamide
  • N-(4-fluorophenyl)-2-[2-oxo-2-(3-pyridylamino)ethyl]sulfinylacetamide
  • N-(4-fluorophenyl)-2-[2-keto-2-(3-pyridylamino)ethyl]sulfinyl-acetamide
  • N-(4-fluorophenyl)-2-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfinyl-ethanamide
  • ASN 06408270
  • N-(4-Fluoro-phenyl)-2-(pyridin-3-ylcarbamoylmethanesulfinyl)-acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.3285 0.3273
Schistosoma mansoni regulator of G protein signaling 0.0011 0.0164 0.0499
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0011 0.0164 0.0499
Schistosoma mansoni dep domain containing protein 0.0011 0.0164 0.0499
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0011 0.0164 0.0447
Schistosoma mansoni z-protein (S1r protein) 0.0011 0.0164 0.0499
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trypanosoma cruzi hypothetical protein 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0008 0.0018 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 0.0447
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 0.0447
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) hypothetical protein 0.0218 1 1
Toxoplasma gondii hypothetical protein 0.0011 0.0164 0.5
Trypanosoma cruzi hypothetical protein 0.0008 0.0018 0.5
Brugia malayi DIX domain containing protein 0.0011 0.0164 0.0146
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0008 0.0018 0.0054
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3285 0.3273
Entamoeba histolytica hypothetical protein 0.0008 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0008 0.0018 0.5
Brugia malayi RNA binding protein 0.0076 0.3285 0.3273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 1 1
Echinococcus granulosus Pleckstrin G protein interacting region 0.0011 0.0164 0.0447
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 0.0447
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3285 0.3273
Onchocerca volvulus 0.0011 0.0164 0.0146
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Loa Loa (eye worm) DIX domain-containing protein 0.0011 0.0164 0.0146
Echinococcus granulosus regulator of G protein signaling 7 0.0011 0.0164 0.0447
Echinococcus granulosus segment polarity protein dishevelled 0.0011 0.0164 0.0447
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3285 1
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0008 0.0018 0.0054
Loa Loa (eye worm) hypothetical protein 0.0011 0.0164 0.0146
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Schistosoma mansoni ras GTP exchange factor 0.0008 0.0018 0.0054
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus multilocularis segment polarity protein dishevelled 0.0011 0.0164 0.0447
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0011 0.0164 0.0146
Brugia malayi regulator of G-protein signaling egl-10 0.0011 0.0164 0.0146
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0011 0.0164 0.0146
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146
Schistosoma mansoni dishevelled 0.0011 0.0164 0.0499
Brugia malayi TAR-binding protein 0.0076 0.3285 0.3273
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis ras GTP exchange factor, putative 0.0008 0.0018 0.5
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3285 0.3273
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3285 1
Schistosoma mansoni dishevelled 0.0011 0.0164 0.0499
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0008 0.0018 0.5
Echinococcus granulosus tar DNA binding protein 0.0076 0.3285 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 0.0447
Echinococcus multilocularis regulator of G protein signaling 7 0.0011 0.0164 0.0447
Brugia malayi hypothetical protein 0.0011 0.0164 0.0146

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.2944 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 (functional) 3.5481 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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
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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