Detailed information for compound 617957

Basic information

Technical information
  • TDR Targets ID: 617957
  • Name: ethyl 4-[2-[[3-(4-fluorophenyl)-[1,2,4]triazo lo[3,4-f]pyridazin-6-yl]sulfanyl]acetyl]piper azine-1-carboxylate
  • MW: 444.483 | Formula: C20H21FN6O3S
  • H donors: 0 H acceptors: 5 LogP: 1.92 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)N1CCN(CC1)C(=O)CSc1ccc2n(n1)c(nn2)c1ccc(cc1)F
  • InChi: 1S/C20H21FN6O3S/c1-2-30-20(29)26-11-9-25(10-12-26)18(28)13-31-17-8-7-16-22-23-19(27(16)24-17)14-3-5-15(21)6-4-14/h3-8H,2,9-13H2,1H3
  • InChiKey: HDSVQHLPUSJRRJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester
  • 4-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester
  • ethyl 4-[2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

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 RNA recognition motif domain containing protein 0.0062 0.2504 0.2063
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2504 0.0962
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 0.5
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.3597 1
Brugia malayi TAR-binding protein 0.0062 0.2504 0.2063
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 0.5
Loa Loa (eye worm) RNA binding protein 0.0062 0.2504 0.2063
Schistosoma mansoni hypothetical protein 0.0167 1 1
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6392 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.6392 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2504 0.2063
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.3597 0.228
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.3597 0.1458
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1706 0.5
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1706 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6392 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.3597 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1706 0.4744
Echinococcus granulosus tar DNA binding protein 0.0062 0.2504 0.0962
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.3597 0.5
Brugia malayi RNA binding protein 0.0062 0.2504 0.2063
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2504 0.2063
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.3597 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.3597 0.228
Brugia malayi Probable ClpP-like protease 0.0077 0.3597 0.4294
Schistosoma mansoni hypothetical protein 0.0167 1 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.3597 1
Echinococcus multilocularis geminin 0.0167 1 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.3597 0.4294

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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