Detailed information for compound 903201

Basic information

Technical information
  • TDR Targets ID: 903201
  • Name: N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-[(4 -methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sul fanyl]acetamide
  • MW: 434.915 | Formula: C20H20ClFN4O2S
  • H donors: 1 H acceptors: 3 LogP: 4.13 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)Cc1nnc(n1CC)SCC(=O)Nc1ccc(c(c1)Cl)F
  • InChi: 1S/C20H20ClFN4O2S/c1-3-26-18(10-13-4-7-15(28-2)8-5-13)24-25-20(26)29-12-19(27)23-14-6-9-17(22)16(21)11-14/h4-9,11H,3,10,12H2,1-2H3,(H,23,27)
  • InChiKey: JTQGTGPEDGYOLL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-4-fluoro-phenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
  • N-(3-chloro-4-fluorophenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3-chloro-4-fluoro-phenyl)-2-[[4-ethyl-5-(4-methoxybenzyl)-1,2,4-triazol-3-yl]thio]acetamide
  • N-(3-chloro-4-fluoro-phenyl)-2-[[4-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide
  • STK136021
  • ZINC02848301

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) pigment dispersing factor receptor c 0.0049 0.0128 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0237 0.0237
Echinococcus granulosus MAP kinase activated protein kinase 2 0.1236 1 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0095 0.0515 0.0515
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0084 0.0419 0.0187
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0084 0.0419 0.0419
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0084 0.0419 0.0419
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0084 0.0419 0.0187
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0237 0.0237
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0128 0.0128
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0095 0.0515 0.0285
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0095 0.0515 0.0285
Loa Loa (eye worm) RNA binding protein 0.0062 0.0237 0.0237
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.1236 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0128 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0237 0.0237
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0237 0.0237
Schistosoma mansoni serine/threonine protein kinase 0.1236 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0095 0.0515 0.0285
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0237 0.0237
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0095 0.0515 0.5
Brugia malayi TAR-binding protein 0.0062 0.0237 0.0237
Brugia malayi RNA binding protein 0.0062 0.0237 0.0237
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0237 0.0237
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.1236 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0237 0.0237
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0128 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0237 0.0237
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0095 0.0515 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0095 0.0515 0.0285
Loa Loa (eye worm) hypothetical protein 0.0095 0.0515 0.0515

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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