Detailed information for compound 871818

Basic information

Technical information
  • TDR Targets ID: 871818
  • Name: N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)imida zol-2-yl]sulfanylacetamide
  • MW: 345.366 | Formula: C17H13F2N3OS
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)F)CSc1nccn1c1ccc(cc1)F
  • InChi: 1S/C17H13F2N3OS/c18-12-1-5-14(6-2-12)21-16(23)11-24-17-20-9-10-22(17)15-7-3-13(19)4-8-15/h1-10H,11H2,(H,21,23)
  • InChiKey: YMJXHBFZAFUIAI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide
  • N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)-2-imidazolyl]thio]acetamide
  • N-(4-fluorophenyl)-2-[[1-(4-fluorophenyl)imidazol-2-yl]thio]acetamide
  • N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide
  • EU-0024557
  • ZINC00427378

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
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0261 0.1992
Onchocerca volvulus 0.0029 0.0537 0.7369
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0261 0.2163
Schistosoma mansoni RAR-like nuclear receptor 0.0018 0.0261 0.0261
Echinococcus multilocularis FTZ F1 alpha 0.0018 0.0261 0.0261
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0009 0.0054 0.0054
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0718 0.205
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0201 0.0501
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.11 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0008 0.0029 0.0029
Brugia malayi CXXC zinc finger family protein 0.0029 0.0537 0.4366
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0029 0.0029
Schistosoma mansoni nuclear receptor 0.0008 0.0029 0.0029
Echinococcus granulosus Nuclear hormone receptor HR96 0.0008 0.0029 0.0029
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0261 0.1992
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0008 0.0029 0.0029
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0008 0.0029 0.0029
Echinococcus granulosus FTZ F1 alpha 0.0018 0.0261 0.0261
Echinococcus granulosus cpg binding protein 0.0031 0.0578 0.0578
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.1192 0.2102
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.2955 0.2955
Echinococcus multilocularis nuclear receptor nhr 48 0.0008 0.0029 0.0029
Brugia malayi Cytochrome P450 family protein 0.0015 0.0201 0.1474
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0718 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0018 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0261 0.0261
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.7095 0.5
Schistosoma mansoni cpg binding protein 0.0031 0.0578 0.0578
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.2955 0.2955
Onchocerca volvulus 0.0018 0.0261 0.3362
Mycobacterium tuberculosis Conserved protein 0.0037 0.0718 0.1242
Schistosoma mansoni hypothetical protein 0.0171 0.4004 0.4004
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Mycobacterium leprae Probable lipase LipE 0.0037 0.0718 0.205
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0261 0.1992
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0041 0.0098
Mycobacterium ulcerans hypothetical protein 0.0037 0.0718 0.205
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0718 0.097
Echinococcus granulosus ferritin 0.0009 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0232
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Echinococcus multilocularis geminin 0.0171 0.4004 0.4004
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0261 0.1992
Echinococcus granulosus ecdysone induced protein 78C 0.0018 0.0261 0.0261
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1192 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0201 0.1474
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0261 0.2163
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0018 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0009 0.0032 0.0022
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0297 0.7095 0.5
Brugia malayi steroid hormone receptor 0.0018 0.0261 0.1992
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1192 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0261 0.1992
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0718 0.1242
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Trichomonas vaginalis esterase, putative 0.0037 0.0718 0.097
Brugia malayi beta-lactamase 0.0037 0.0718 0.5924
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0018 0.0261 0.0261
Schistosoma mansoni ferritin light chain 0.0009 0.0033 0.0033
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0718 0.0718
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0718 0.1242
Mycobacterium tuberculosis Conserved protein 0.0037 0.0718 0.1242
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0009 0.0054 0.0054
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0009 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0232
Schistosoma mansoni coup transcription factor 0.0018 0.0261 0.0261
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0018 0.0261 0.0261
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1192 0.1192
Schistosoma mansoni ferritin 0.0009 0.0033 0.0033
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0718 1
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0033 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1192 0.3468
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0718 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0261 0.1992
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.3375 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0718 0.097
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0018 0.0261 0.0261
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0261 0.1992
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0232
Schistosoma mansoni zinc finger protein 0.0008 0.0029 0.0029
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0261 0.1992
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Schistosoma mansoni nuclear receptor 0.0008 0.0029 0.0029
Onchocerca volvulus 0.0037 0.0718 1
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0718 0.205
Loa Loa (eye worm) beta-lactamase 0.0037 0.0718 0.6435
Brugia malayi ecdysteroid receptor 0.0018 0.0261 0.1992
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0018 0.0261 0.0261
Schistosoma mansoni cpg binding protein 0.0031 0.0578 0.0578
Onchocerca volvulus 0.0037 0.0718 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0718 0.5924
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0018 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0261 0.1992
Schistosoma mansoni hypothetical protein 0.0128 0.2955 0.2955
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0261 0.2163
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.3375 1
Echinococcus granulosus expressed protein 0.0009 0.0033 0.0033
Onchocerca volvulus Protein ultraspiracle homolog 0.0018 0.0261 0.3362
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0718 0.097
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0054 0.0213
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0718 0.1242
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.5546 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0297 0.7095 0.5
Echinococcus multilocularis cpg binding protein 0.0031 0.0578 0.0578
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.1176 1
Mycobacterium ulcerans beta-lactamase 0.0037 0.0718 0.205
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0718 0.1242
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0261 0.0261
Schistosoma mansoni steroid hormone receptor ad4bp 0.0018 0.0261 0.0261
Schistosoma mansoni ferritin light chain 0.0009 0.0033 0.0033
Brugia malayi nuclear hormone receptor 0.0018 0.0261 0.1992
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0718 0.0718
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0008 0.0029 0.0029
Schistosoma mansoni ferritin 0.0009 0.0033 0.0033
Schistosoma mansoni nuclear hormone receptor 0.0018 0.0261 0.0261
Schistosoma mansoni thyroid hormone receptor 0.0146 0.3393 0.3393
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0018 0.0261 0.0261
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0261 0.2163
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0018 0.0261 0.3362
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0054 0.0213
Echinococcus multilocularis dnaJ subfamily B 0.0415 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0261 0.1992
Brugia malayi nuclear receptor NHR-88 0.0018 0.0261 0.1992
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0537 0.4742
Schistosoma mansoni apoferritin-2 0.0009 0.0033 0.0033
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0718 0.097
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0232
Schistosoma mansoni cpg binding protein 0.0029 0.0537 0.0537
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0261 0.0261
Schistosoma mansoni hypothetical protein 0.0415 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0718 0.0718
Brugia malayi hypothetical protein 0.0009 0.0054 0.0213
Echinococcus multilocularis thyroid hormone receptor alpha 0.0146 0.3393 0.3393
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0261 0.1992
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0718 0.205
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0261 0.1992
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0008 0.0029 0.0029
Onchocerca volvulus Bile acid receptor homolog 0.0018 0.0261 0.3362
Echinococcus granulosus nuclear receptor nhr 48 0.0008 0.0029 0.0029
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0261 0.2163
Schistosoma mansoni thyroid hormone receptor 0.0146 0.3393 0.3393
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0018 0.0261 0.0261
Echinococcus multilocularis expressed protein 0.0009 0.0033 0.0033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0261 0.2163
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0718 0.0718
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0201 0.16
Schistosoma mansoni nuclear receptor nhr-48 0.0008 0.0029 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0261 0.1992
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0029 0.0029
Schistosoma mansoni ferritin 0.0009 0.0033 0.0033
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0029 0.0029
Treponema pallidum fructose-bisphosphate aldolase 0.0297 0.7095 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Schistosoma mansoni ferritin 0.0009 0.0033 0.0033
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0054 0.0054
Echinococcus multilocularis ferritin 0.0009 0.0033 0.0033
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0018 0.0261 0.0261
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0718 0.6435
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.3375 0.6062
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1338 0.1338
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1192 0.1192
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0718 0.1242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0261 0.2163
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.0447 0.3902
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0718 0.097
Brugia malayi beta-lactamase family protein 0.0037 0.0718 0.5924
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0018 0.0261 0.0261
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0044 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0261 0.1992
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0008 0.0029 0.0029
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0029 0.0029
Onchocerca volvulus 0.0037 0.0718 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0054 0.0232
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0008 0.0029 0.0029
Echinococcus granulosus geminin 0.0171 0.4004 0.4004
Schistosoma mansoni hypothetical protein 0.0171 0.4004 0.4004
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0018 0.0261 0.0261
Schistosoma mansoni apoferritin-2 0.0009 0.0033 0.0033
Mycobacterium ulcerans lipase LipD 0.0037 0.0718 0.205
Mycobacterium tuberculosis Conserved protein 0.0037 0.0718 0.1242
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0261 0.1992
Schistosoma mansoni retinoic acid receptor RXR 0.0018 0.0261 0.0261
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0718 0.1242
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0261 0.2163
Loa Loa (eye worm) hypothetical protein 0.0018 0.0261 0.2163
Brugia malayi beta-lactamase family protein 0.0037 0.0718 0.5924
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0018 0.0261 0.0261
Brugia malayi nuclear receptor RXR 0.0009 0.0054 0.0213
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0718 0.1242
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1192 0.3468
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0201 0.16
Leishmania major hypothetical protein, conserved 0.0037 0.0718 0.522
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0261 0.1992
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1192 0.1192
Brugia malayi Cytochrome P450 family protein 0.0025 0.0447 0.3592
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0018 0.0261 0.0261
Brugia malayi hypothetical protein 0.0009 0.0054 0.0213
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0009 0.0054 0.0232
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0044 0.0044
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0201 0.16
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0018 0.0261 0.0261
Echinococcus granulosus Nuclear hormone receptor HR96 0.0008 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0718 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0297 0.7095 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0018 0.0261 0.0261
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0018 0.0261 0.0261
Loa Loa (eye worm) hypothetical protein 0.0037 0.0718 0.6435
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0008 0.0029 0.0029

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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