Detailed information for compound 205479

Basic information

Technical information
  • TDR Targets ID: 205479
  • Name: 2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo -2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
  • MW: 297.325 | Formula: C12H8FNO3S2
  • H donors: 1 H acceptors: 3 LogP: 2.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CN1C(=S)S/C(=C/c2ccc(cc2)F)/C1=O
  • InChi: 1S/C12H8FNO3S2/c13-8-3-1-7(2-4-8)5-9-11(17)14(6-10(15)16)12(18)19-9/h1-5H,6H2,(H,15,16)/b9-5+
  • InChiKey: HNNIYYQDBWHDCQ-WEVVVXLNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(5E)-5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5E)-5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
  • 2-[(5E)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
  • 2-[(5E)-5-(4-fluorobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid
  • BAS 00777845
  • [5-(4-Fluoro-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid

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
Echinococcus multilocularis fibropellin Ia 0.0079 0.0788 0.0777
Schistosoma mansoni hypothetical protein 0.0376 0.4051 1
Onchocerca volvulus Chorion peroxidase homolog 0.0243 0.2595 1
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.2595 0.9405
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Onchocerca volvulus Neurogenic locus notch homolog 0.0079 0.0788 0.3004
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0027 0.022 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0494 0.1193
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus multilocularis neural cadherin 0.0079 0.0788 0.0777
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0079 0.0788 0.3004
Plasmodium falciparum kinesin-5 0.0056 0.0542 1
Brugia malayi Animal haem peroxidase family protein 0.0243 0.2595 0.9405
Echinococcus granulosus tumor protein p63 0.0383 0.4123 0.8832
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.2595 0.9405
Echinococcus multilocularis neurogenic locus protein delta 0.0079 0.0788 0.0777
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.2595 0.9405
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Echinococcus multilocularis tumor protein p63 0.0383 0.4123 0.4116
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0494 0.1035
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0134 0.6071
Leishmania major mitogen-activated protein kinase 3, putative,map kinase 3, putative 0.0258 0.2758 1
Echinococcus multilocularis kinesin family 1 0.0432 0.4667 0.4661
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Brugia malayi Delta serrate ligand family protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0487
Echinococcus multilocularis neurogenic locus notch protein 0.0079 0.0788 0.0777
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0258 0.2758 1
Echinococcus granulosus notch 0.0079 0.0788 0.1667
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0079 0.0788 0.1921
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0494 0.0482
Echinococcus multilocularis mitogen activated protein kinase 11 0.0258 0.2758 0.2749
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0012 0.0546
Echinococcus granulosus peroxidasin 0.0243 0.2595 0.5548
Mycobacterium ulcerans hypothetical protein 0.0027 0.022 1
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.0546
Onchocerca volvulus Peroxidase homolog 0.0243 0.2595 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0056 0.0542 0.1928
Brugia malayi Kinesin motor domain containing protein 0.0056 0.0542 0.1928
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0146 0.2523
Brugia malayi AMP-binding enzyme family protein 0.0027 0.022 0.0758
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0146 0.6617
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.0546
Loa Loa (eye worm) hypothetical protein 0.0027 0.022 0.0758
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.0546
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0494 0.1193
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Schistosoma mansoni kinesin eg-5 0.0056 0.0542 0.1311
Loa Loa (eye worm) animal heme peroxidase 0.0243 0.2595 0.9405
Echinococcus multilocularis slit 2 protein 0.0079 0.0788 0.0777
Brugia malayi Peroxidasin 0.0243 0.2595 0.9405
Brugia malayi Cadherin domain containing protein 0.0079 0.0788 0.2825
Trypanosoma cruzi mitogen-activated protein kinase 3, putative 0.0258 0.2758 1
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus granulosus protein jagged 1 0.0079 0.0788 0.1667
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0487
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.0494 0.0482
Onchocerca volvulus 0.0079 0.0788 0.3004
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.0494 0.1193
Brugia malayi Animal haem peroxidase family protein 0.0243 0.2595 0.9405
Echinococcus granulosus neurogenic locus notch protein 0.0079 0.0788 0.1667
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0012 0.0546
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Onchocerca volvulus Peroxidasin homolog 0.0243 0.2595 1
Entamoeba histolytica kinesin, putative 0.0056 0.0542 1
Echinococcus granulosus kinesin family 1 0.0432 0.4667 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Onchocerca volvulus 0.0243 0.2595 1
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0012 0.0546
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus granulosus neural cadherin 0.0079 0.0788 0.1667
Brugia malayi Animal haem peroxidase family protein 0.0243 0.2595 0.9405
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0012 0.5
Onchocerca volvulus 0.0079 0.0788 0.3004
Brugia malayi P38 map kinase family protein 2 0.0258 0.2758 1
Echinococcus granulosus delta-like protein 1 0.0079 0.0788 0.1667
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Echinococcus granulosus protein jagged 2 0.0079 0.0788 0.1667
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0027 0.022 1
Onchocerca volvulus 0.0056 0.054 0.2044
Onchocerca volvulus Putative cubilin 0.0079 0.0788 0.3004
Brugia malayi Cadherin domain containing protein 0.0079 0.0788 0.2825
Brugia malayi Blistered cuticle protein 3 0.0243 0.2595 0.9405
Giardia lamblia High cysteine protein 0.0079 0.0788 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0134 0.6071
Toxoplasma gondii EGF family domain-containing protein 0.0079 0.0788 1
Toxoplasma gondii kinesin motor domain-containing protein 0.0056 0.0542 0.6824
Onchocerca volvulus Slit protein homolog 0.0079 0.0788 0.3004
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0012 0.0546
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0487
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Echinococcus multilocularis notch 0.0079 0.0788 0.0777
Loa Loa (eye worm) blistered cuticle protein 3 0.0243 0.2595 0.9405
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.022 0.393
Onchocerca volvulus Peroxidasin homolog 0.0243 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.022 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0027 0.022 1
Plasmodium vivax kinesin-5 0.0056 0.0542 1
Echinococcus granulosus neurogenic locus notch protein 4 0.0079 0.0788 0.1667
Schistosoma mansoni septate junction protein 0.0079 0.0788 0.1921
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Echinococcus granulosus neurogenic locus notch protein 0.0079 0.0788 0.1667
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0027 0.022 1
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0788 0.2825
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0012 0.0546
Brugia malayi notch-like transmembrane receptor 0.0079 0.0788 0.2825
Onchocerca volvulus Peroxidase homolog 0.0243 0.2595 1
Onchocerca volvulus 0.0079 0.0788 0.3004
Loa Loa (eye worm) hypothetical protein 0.0027 0.022 0.0758
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Onchocerca volvulus 0.0243 0.2595 1
Echinococcus granulosus neurogenic locus protein delta 0.0079 0.0788 0.1667
Trypanosoma brucei mitogen-activated protein kinase 3, putative 0.0258 0.2758 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.0494 0.1035
Plasmodium vivax acyl-CoA synthetase, putative 0.002 0.0146 0.2523
Schistosoma mansoni peroxidasin 0.0243 0.2595 0.6394
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0027 0.022 1
Schistosoma mansoni cell polarity protein 0.0079 0.0788 0.1921
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0134 0.6071
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) CMGC/MAPK/P38 protein kinase 0.0258 0.2758 1
Echinococcus granulosus mitogen activated protein kinase 11 0.0258 0.2758 0.5899
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0487
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.022 0.0758
Brugia malayi Animal haem peroxidase family protein 0.0243 0.2595 0.9405
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0012 0.0546
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0788 0.2825
Echinococcus granulosus fibropellin Ia 0.0079 0.0788 0.1667
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus granulosus protein jagged 1 0.0079 0.0788 0.1667
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0012 0.0546
Echinococcus multilocularis neurogenic locus protein delta 0.0079 0.0788 0.0777
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0.0012 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.0146 0.0487
Onchocerca volvulus 0.0243 0.2595 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Entamoeba histolytica acyl-coA synthetase, putative 0.0027 0.022 0.393
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Onchocerca volvulus Dual oxidase homolog 0.0243 0.2595 1
Onchocerca volvulus 0.0079 0.0788 0.3004
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.022 1
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) Notch2 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0056 0.054 0.1923
Echinococcus granulosus slit 2 protein 0.0079 0.0788 0.1667
Echinococcus multilocularis neurogenic locus notch protein 0.0079 0.0788 0.0777
Echinococcus multilocularis protein jagged 1 0.0079 0.0788 0.0777
Entamoeba histolytica acyl-CoA synthetase, putative 0.0027 0.022 0.393
Loa Loa (eye worm) hypothetical protein 0.0027 0.022 0.0758
Schistosoma mansoni laminin gamma-3 chain 0.0079 0.0788 0.1921
Brugia malayi Calcium binding EGF domain containing protein 0.0079 0.0788 0.2825
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.054 0.1307
Echinococcus multilocularis mitogen activated protein kinase 11 0.0258 0.2758 0.2749
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0079 0.0788 0.2825
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Schistosoma mansoni notch 0.0079 0.0788 0.1921
Brugia malayi Muscle positioning protein 4 0.0079 0.0788 0.2825
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.0494 0.1754
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Echinococcus granulosus protein jagged 2 0.0079 0.0788 0.1667
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Echinococcus multilocularis protein jagged 1 0.0079 0.0788 0.0777
Echinococcus multilocularis peroxidasin 0.0243 0.2595 0.2586
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0012 0.0546
Echinococcus multilocularis neurogenic locus notch protein 4 0.0079 0.0788 0.0777
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Echinococcus multilocularis mitogen activated protein kinase 14 0.0258 0.2758 0.2749
Brugia malayi AMP-binding enzyme family protein 0.0027 0.022 0.0758
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0027 0.022 1
Loa Loa (eye worm) notch protein 0.0079 0.0788 0.2825
Brugia malayi Animal haem peroxidase family protein 0.0243 0.2595 0.9405
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.0494 0.1754
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.0134 0.6071
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921
Loa Loa (eye worm) hypothetical protein 0.0243 0.2595 0.9405
Brugia malayi EGF-like domain containing protein 0.0079 0.0788 0.2825
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Echinococcus granulosus mitogen activated protein kinase 14 0.0258 0.2758 0.5899
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Schistosoma mansoni peroxidasin 0.0243 0.2595 0.6394
Echinococcus multilocularis fat cadherin tumor suppressor 0.0079 0.0788 0.0777
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Echinococcus multilocularis mitogen activated protein kinase 14 0.0258 0.2758 0.2749
Brugia malayi AMP-binding enzyme family protein 0.0027 0.022 0.0758
Echinococcus multilocularis protein jagged 2 0.0079 0.0788 0.0777
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0027 0.022 1
Loa Loa (eye worm) hypothetical protein 0.0079 0.0788 0.2825
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0.0146 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0027 0.022 1
Schistosoma mansoni slit 0.0079 0.0788 0.1921
Brugia malayi GCC2 and GCC3 family protein 0.0079 0.0788 0.2825
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.022 0.0758
Onchocerca volvulus 0.0079 0.0788 0.3004
Brugia malayi hypothetical protein 0.0243 0.2595 0.9405
Onchocerca volvulus 0.0027 0.022 0.0806
Mycobacterium ulcerans fatty-acid-CoA ligase 0.002 0.0146 0.6421
Leishmania major 4-coumarate:coa ligase-like protein 0.0027 0.022 0.0758
Schistosoma mansoni hypothetical protein 0.0079 0.0788 0.1921

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) 0 Inhibition of p56 Lck SH2 domain association with phosphotyrosine containing C-terminal ITAM2 peptide at 100 uM ChEMBL. 15214778

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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