Detailed information for compound 665469

Basic information

Technical information
  • TDR Targets ID: 665469
  • Name: N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl) acetamide
  • MW: 292.238 | Formula: C14H10F2N2O3
  • H donors: 1 H acceptors: 3 LogP: 2.72 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)[N+](=O)[O-])F)Cc1ccc(cc1)F
  • InChi: 1S/C14H10F2N2O3/c15-10-3-1-9(2-4-10)7-14(19)17-11-5-6-12(16)13(8-11)18(20)21/h1-6,8H,7H2,(H,17,19)
  • InChiKey: MWEDWXZDTKDLFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluoro-3-nitro-phenyl)-2-(4-fluorophenyl)acetamide
  • N-(4-fluoro-3-nitro-phenyl)-2-(4-fluorophenyl)ethanamide
  • SMR000196429
  • STK024193
  • ZINC00302950
  • MLS000575195

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 survival motor neuron protein 1 0.0247 0.6787 0.6776
Loa Loa (eye worm) hepatopoietin HPO2 0.0034 0.012 0.0095
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0253 0.0018
Echinococcus multilocularis GA binding protein alpha chain 0.0074 0.1387 0.1356
Schistosoma mansoni alpha glucosidase 0.0038 0.0241 0.0205
Echinococcus multilocularis CAAX prenyl protease 2 0.0192 0.5048 0.503
Echinococcus granulosus dnaJ subfamily C 6 0.0061 0.0953 0.0953
Chlamydia trachomatis hypothetical protein 0.004 0.0295 0.5
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0295 0.0113
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0034 0.012 0.0084
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Toxoplasma gondii CAAX amino terminal protease family protein 0.004 0.0295 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0038 0.0241 0.0205
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.4384 0.4384
Plasmodium vivax protease, putative 0.004 0.0295 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0253 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0241 0.0245
Mycobacterium ulcerans integral membrane protein 0.004 0.0295 1
Schistosoma mansoni alpha-glucosidase 0.0147 0.3642 0.3619
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.0295 0.0066
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0192 0.5048 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0253 0.837
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0074 0.1387 0.1525
Trichomonas vaginalis protein kinase inhibitor, putative 0.0061 0.0953 0.1085
Mycobacterium ulcerans hypothetical protein 0.004 0.0295 1
Leishmania major hypothetical protein, conserved 0.0038 0.0253 0.027
Schistosoma mansoni ets-related 0.0226 0.6125 0.6111
Loa Loa (eye worm) hypothetical protein 0.0315 0.8893 1
Leishmania major alpha glucosidase II subunit, putative 0.0038 0.0241 0.0245
Loa Loa (eye worm) hypothetical protein 0.0064 0.1049 0.1144
Loa Loa (eye worm) hypothetical protein 0.0035 0.0154 0.0134
Echinococcus granulosus survival motor neuron protein 1 0.0247 0.6787 0.6787
Schistosoma mansoni alpha-glucosidase 0.0147 0.3642 0.3619
Onchocerca volvulus 0.0038 0.0253 0.032
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0253 0.0018
Brugia malayi Glycosyl hydrolases family 31 protein 0.0038 0.0241 0.0231
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0253 0.0218
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.4384 0.4363
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Echinococcus multilocularis dnaJ subfamily C 6 0.0061 0.0953 0.092
Echinococcus granulosus neutral alpha glucosidase AB 0.0038 0.0241 0.0241
Echinococcus granulosus CAAX prenyl protease 2 0.0192 0.5048 0.5048
Mycobacterium tuberculosis Conserved hypothetical protein 0.004 0.0295 0.0066
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0253 0.0018
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0.0241 0.7901
Trichomonas vaginalis set domain proteins, putative 0.0248 0.681 1
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0034 0.012 0.3237
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Treponema pallidum hypothetical protein 0.004 0.0295 0.5
Loa Loa (eye worm) DnaJ domain-containing protein 0.0061 0.0953 0.1035
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0253 0.0218
Toxoplasma gondii hypothetical protein 0.004 0.0295 1
Brugia malayi hypothetical protein 0.0247 0.6787 0.7622
Onchocerca volvulus 0.0038 0.0253 0.032
Brugia malayi beta-lactamase family protein 0.0038 0.0253 0.0245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0661 0.0706
Giardia lamblia Hypothetical protein 0.0192 0.5048 0.5
Trichomonas vaginalis esterase, putative 0.0038 0.0253 0.0018
Entamoeba histolytica CAAX prenyl protease family 0.0192 0.5048 1
Loa Loa (eye worm) hypothetical protein 0.0247 0.6787 0.7622
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0253 0.027
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0253 0.0218
Schistosoma mansoni hypothetical protein 0.0035 0.0154 0.0119
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0038 0.0241 0.0231
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.012 0.3237
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0253 0.027
Echinococcus granulosus muscleblind protein 0.0315 0.8893 0.8893
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0244 0.6685 1
Echinococcus multilocularis geminin 0.035 1 1
Echinococcus multilocularis muscleblind protein 0.0315 0.8893 0.8889
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0661 0.0706
Brugia malayi Muscleblind-like protein 0.0315 0.8893 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0253 0.0253
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0661 0.0706
Brugia malayi beta-lactamase family protein 0.0038 0.0253 0.0245
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0192 0.5048 1
Trypanosoma brucei CAAX amino terminal protease, putative 0.0192 0.5048 1
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0253 0.5
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.4384 0.4363
Schistosoma mansoni hypothetical protein 0.035 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.2896 0.3229
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.4384 0.4909
Echinococcus multilocularis muscleblind protein 1 0.0315 0.8893 0.8889
Onchocerca volvulus 0.0098 0.2139 0.3104
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0253 0.0245
Onchocerca volvulus 0.005 0.0635 0.0885
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0241 0.0245
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0036 0.0036
Onchocerca volvulus 0.0248 0.681 1
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0192 0.5048 0.503
Brugia malayi Fli-1 protein 0.0226 0.6125 0.6875
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0218 0.5869 0.6586
Mycobacterium leprae Probable lipase LipE 0.0038 0.0253 0.5
Toxoplasma gondii Erv1 / Alr family protein 0.0034 0.012 0.3237
Brugia malayi Ets-domain containing protein 0.0074 0.1387 0.1525
Mycobacterium tuberculosis Probable integral membrane protein 0.004 0.0295 0.0066
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Toxoplasma gondii ABC1 family protein 0.0038 0.0253 0.837
Echinococcus granulosus GA binding protein alpha chain 0.0074 0.1387 0.1387
Loa Loa (eye worm) hypothetical protein 0.0192 0.5048 0.5659
Onchocerca volvulus 0.0038 0.0253 0.032
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0635 0.0677
Loa Loa (eye worm) hypothetical protein 0.0051 0.0661 0.0706
Schistosoma mansoni survival motor neuron protein 0.005 0.0635 0.0602
Brugia malayi DnaJ domain containing protein 0.0061 0.0953 0.1035
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0154 0.0134
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0034 0.012 0.012
Loa Loa (eye worm) hypothetical protein 0.0315 0.8893 1
Schistosoma mansoni hypothetical protein 0.0061 0.0953 0.092
Schistosoma mansoni hypothetical protein 0.035 1 1
Mycobacterium ulcerans hypothetical protein 0.004 0.0295 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.4384 0.4909
Brugia malayi MH2 domain containing protein 0.0123 0.2896 0.3229
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0192 0.5048 0.7318
Brugia malayi Pre-SET motif family protein 0.0218 0.5869 0.6586
Schistosoma mansoni hypothetical protein 0.005 0.0635 0.0602
Brugia malayi Ets-domain containing protein 0.0074 0.1387 0.1525
Brugia malayi CAAX amino terminal protease family protein 0.0192 0.5048 0.5659
Entamoeba histolytica CAAX amino terminal protease family 0.004 0.0295 0.0113
Loa Loa (eye worm) fli-1 protein 0.0226 0.6125 0.6875
Schistosoma mansoni gabp alpha 0.0074 0.1387 0.1356
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.2896 0.3229
Trypanosoma brucei glucosidase, putative 0.0038 0.0241 0.0245
Plasmodium falciparum protease, putative 0.004 0.0295 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0253 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0253 0.0018
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0192 0.5048 0.503
Brugia malayi beta-lactamase 0.0038 0.0253 0.0245
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0253 0.027
Loa Loa (eye worm) beta-lactamase 0.0038 0.0253 0.0245
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0192 0.5048 1
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.004 0.0295 0.0066
Toxoplasma gondii hypothetical protein 0.004 0.0295 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0253 0.0245
Brugia malayi Augmenter of liver regeneration 0.0034 0.012 0.0095

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6511 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
Potency (binding) = 25.1189 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
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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