Detailed information for compound 627890

Basic information

Technical information
  • TDR Targets ID: 627890
  • Name: N-(4-acetamidophenyl)-2-[1-[(4-fluorophenyl)m ethyl]imidazol-2-yl]sulfanylacetamide
  • MW: 398.454 | Formula: C20H19FN4O2S
  • H donors: 2 H acceptors: 3 LogP: 2.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)NC(=O)C)CSc1nccn1Cc1ccc(cc1)F
  • InChi: 1S/C20H19FN4O2S/c1-14(26)23-17-6-8-18(9-7-17)24-19(27)13-28-20-22-10-11-25(20)12-15-2-4-16(21)5-3-15/h2-11H,12-13H2,1H3,(H,23,26)(H,24,27)
  • InChiKey: DOHSVLOYVNKBMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-acetamidophenyl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-acetamide
  • N-(4-acetamidophenyl)-2-[[1-[(4-fluorophenyl)methyl]-2-imidazolyl]thio]acetamide
  • N-(4-acetamidophenyl)-2-[[1-(4-fluorobenzyl)imidazol-2-yl]thio]acetamide
  • N-(4-acetamidophenyl)-2-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]sulfanyl-ethanamide
  • ZINC04248749

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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.5035 1
Schistosoma mansoni hypothetical protein 0.0038 0.0539 0.0329
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1161 0.1495
Loa Loa (eye worm) TAR-binding protein 0.013 0.5035 1
Loa Loa (eye worm) hypothetical protein 0.012 0.4563 0.8984
Entamoeba histolytica hypothetical protein 0.0038 0.0539 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0539 0.0329
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0539 0.0128
Loa Loa (eye worm) hypothetical protein 0.0077 0.2447 0.4434
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2447 1
Entamoeba histolytica hypothetical protein 0.0038 0.0539 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.0539 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.1522 0.2286
Brugia malayi hypothetical protein 0.0038 0.0539 0.0329
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0958 0.1049
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1453 0.4943
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0958 0.1049
Loa Loa (eye worm) hypothetical protein 0.005 0.116 0.1665
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.048 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Schistosoma mansoni jumonji domain containing protein 0.0058 0.1522 0.2443
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0958 0.1231
Echinococcus granulosus tar DNA binding protein 0.013 0.5035 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0958 0.1231
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0958 0.1049
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.1453 1
Loa Loa (eye worm) hypothetical protein 0.012 0.4563 0.8984
Echinococcus multilocularis tar DNA binding protein 0.013 0.5035 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.1453 0.2295
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.048 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.048 0.0203
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0958 0.1049
Loa Loa (eye worm) beta-lactamase 0.0036 0.048 0.0203
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1453 0.2135
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.1522 0.2286
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.048 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 0.5035 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.1453 0.2295
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.1268 0.1898
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0958 0.1231
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Schistosoma mansoni tar DNA-binding protein 0.013 0.5035 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.2447 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.1453 0.1021
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.048 0.0203
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.1522 0.2286
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1161 0.1495
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0539 0.0128
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.1453 0.2135
Brugia malayi beta-lactamase family protein 0.0036 0.048 0.0203
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.2447 0.4319
Onchocerca volvulus Huntingtin homolog 0.012 0.4563 1
Loa Loa (eye worm) RNA binding protein 0.013 0.5035 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.5035 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.048 0.1962
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Toxoplasma gondii ABC1 family protein 0.0036 0.048 0.1962
Brugia malayi RNA binding protein 0.013 0.5035 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.116 0.1665
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1161 0.0715
Mycobacterium leprae Probable lipase LipE 0.0036 0.048 0.1962
Schistosoma mansoni tar DNA-binding protein 0.013 0.5035 1
Brugia malayi hypothetical protein 0.012 0.4563 0.8984
Brugia malayi beta-lactamase 0.0036 0.048 0.0203
Plasmodium vivax hypothetical protein, conserved 0.0036 0.048 0.1962
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1522 0.2443
Brugia malayi jmjC domain containing protein 0.0058 0.1522 0.2443
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.2447 0.4319
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.048 0.0203
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.116 0.1665
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.1522 0.2286
Brugia malayi jmjC domain containing protein 0.0058 0.1522 0.2443
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.048 0.5
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1161 0.4744
Entamoeba histolytica hypothetical protein 0.0038 0.0539 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.2447 0.4434
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1161 0.0715
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Onchocerca volvulus Huntingtin homolog 0.012 0.4563 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 1
Brugia malayi Probable ClpP-like protease 0.0077 0.2447 0.4434
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 1
Brugia malayi TAR-binding protein 0.013 0.5035 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.048 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.1522 0.2443
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2447 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.1453 0.4943
Schistosoma mansoni tar DNA-binding protein 0.013 0.5035 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.1522 0.2443
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.048 0.0203
Loa Loa (eye worm) hypothetical protein 0.0036 0.048 0.0203
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0958 0.1231
Brugia malayi RNA recognition motif domain containing protein 0.013 0.5035 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.116 0.1665
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.048 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.048 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0958 0.1231
Trichomonas vaginalis esterase, putative 0.0036 0.048 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.048 0.0203
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2447 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.048 0.5
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.2447 1

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.
 
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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