Detailed information for compound 620283

Basic information

Technical information
  • TDR Targets ID: 620283
  • Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[ 1-(4-fluorophenyl)imidazol-2-yl]sulfanylaceta mide
  • MW: 395.498 | Formula: C15H14FN5OS3
  • H donors: 1 H acceptors: 4 LogP: 3.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1nnc(s1)NC(=O)CSc1nccn1c1ccc(cc1)F
  • InChi: 1S/C15H14FN5OS3/c1-2-23-15-20-19-13(25-15)18-12(22)9-24-14-17-7-8-21(14)11-5-3-10(16)4-6-11/h3-8H,2,9H2,1H3,(H,18,19,22)
  • InChiKey: JSUWHRYIGDHFIB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-acetamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(4-fluorophenyl)-2-imidazolyl]thio]acetamide
  • N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[1-(4-fluorophenyl)imidazol-2-yl]thio]acetamide
  • N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[1-(4-fluorophenyl)imidazol-2-yl]sulfanyl-ethanamide
  • ZINC02468222

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 0.0071 0.257 0.2241
Schistosoma mansoni tar DNA-binding protein 0.0071 0.257 0.3612
Brugia malayi RNA binding protein 0.0071 0.257 0.2563
Loa Loa (eye worm) hypothetical protein 0.0052 0.1696 0.1328
Schistosoma mansoni hypothetical protein 0.0033 0.0812 0.1141
Echinococcus granulosus geminin 0.0167 0.7116 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.4177 0.4171
Schistosoma mansoni hypothetical protein 0.0033 0.0812 0.1141
Echinococcus multilocularis GPCR, family 2 0.0033 0.0812 0.1141
Loa Loa (eye worm) hypothetical protein 0.0036 0.0963 0.0563
Onchocerca volvulus 0.0052 0.1696 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0963 0.0563
Schistosoma mansoni hypothetical protein 0.0033 0.0812 0.1141
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0424 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2072 0.5
Echinococcus granulosus tar DNA binding protein 0.0071 0.257 0.3612
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1377 0.1935
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.2072 1
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.2619 0.2612
Echinococcus multilocularis tar DNA binding protein 0.0071 0.257 0.3612
Echinococcus multilocularis geminin 0.0167 0.7116 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0052 0.1708 0.24
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.2072 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1377 0.1935
Loa Loa (eye worm) hypothetical protein 0.0036 0.0963 0.0563
Brugia malayi hypothetical protein 0.0037 0.0975 0.0966
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0424 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0424 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0812 0.1141
Schistosoma mansoni tar DNA-binding protein 0.0071 0.257 0.3612
Loa Loa (eye worm) hypothetical protein 0.0033 0.0812 0.0405
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1377 0.1935
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.2072 0.2911
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0424 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.257 0.3612
Schistosoma mansoni hypothetical protein 0.0033 0.0812 0.1141
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.4177 0.4171
Schistosoma mansoni tar DNA-binding protein 0.0071 0.257 0.3612
Schistosoma mansoni hypothetical protein 0.0072 0.2619 0.3681
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.2072 0.5
Schistosoma mansoni tar DNA-binding protein 0.0071 0.257 0.3612
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0037 0.0975 0.0966
Loa Loa (eye worm) RNA binding protein 0.0071 0.257 0.2241
Loa Loa (eye worm) hypothetical protein 0.0105 0.4177 0.3919
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0812 0.1141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1377 0.1935
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0037 0.0975 0.0966
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0037 0.0975 0.0575
Brugia malayi hypothetical protein 0.0036 0.0963 0.0954
Schistosoma mansoni hypothetical protein 0.0167 0.7116 1
Brugia malayi TAR-binding protein 0.0071 0.257 0.2563
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2072 0.2911
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1377 0.1935
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0052 0.1708 0.1341
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0424 0.5
Loa Loa (eye worm) TAR-binding protein 0.0071 0.257 0.2241
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0037 0.0975 0.137
Echinococcus multilocularis aryl hydrocarbon receptor 0.0052 0.1708 0.24
Loa Loa (eye worm) hypothetical protein 0.0036 0.0963 0.0563
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.257 0.2563
Brugia malayi hypothetical protein 0.0025 0.0424 0.0415
Brugia malayi hypothetical protein 0.0052 0.1696 0.1688
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2072 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0812 0.1141
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1377 0.1935
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.4177 0.3919
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2072 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0812 0.0803
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0812 0.0405
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0036 0.0963 0.0954
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.2072 0.2911
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0812 0.0803
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1377 0.1369
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0424 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1377 0.0995
Echinococcus granulosus GPCR family 2 0.0033 0.0812 0.1141
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0812 0.1141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1377 0.1935
Schistosoma mansoni hypothetical protein 0.0167 0.7116 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.2619 0.2293
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2072 0.2911

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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