Detailed information for compound 1441972

Basic information

Technical information
  • TDR Targets ID: 1441972
  • Name: 3-(4-phenyl-5-sulfanylidene-1,2,4-triazol-1-y l)propanenitrile
  • MW: 230.289 | Formula: C11H10N4S
  • H donors: 0 H acceptors: 1 LogP: 1.42 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCn1ncn(c1=S)c1ccccc1
  • InChi: 1S/C11H10N4S/c12-7-4-8-15-11(16)14(9-13-15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,8H2
  • InChiKey: WDFPTZALKBAFFG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propanenitrile
  • 3-(4-phenyl-5-thioxo-1,2,4-triazol-1-yl)propionitrile
  • ZINC02207857
  • STOCK1S-26672
  • MLS000079717
  • SMR000038970

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0115 0.9357 1
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.006 0.387 0.0767
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.006 0.387 1
Entamoeba histolytica ornithine decarboxylase, putative 0.006 0.387 0.5
Trichomonas vaginalis ornithine decarboxylase, putative 0.006 0.387 1
Trichomonas vaginalis ornithine decarboxylase, putative 0.006 0.387 1
Schistosoma mansoni lipoxygenase 0.0115 0.9357 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0023 0.0173 0.5
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.006 0.387 1
Onchocerca volvulus 0.006 0.387 0.5
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.006 0.387 0.5
Schistosoma mansoni lipoxygenase 0.0081 0.5894 0.4226
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.006 0.387 0.0767
Trypanosoma brucei ornithine decarboxylase 0.006 0.387 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0115 0.9357 1
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.006 0.387 1
Toxoplasma gondii diaminopimelate decarboxylase 0.006 0.387 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0173 0.0446
Leishmania major ornithine decarboxylase, putative 0.006 0.387 0.5
Giardia lamblia Ornithine decarboxylase 0.006 0.387 0.5
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.006 0.387 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0122 1 1
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.006 0.387 0.5
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.006 0.387 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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