Detailed information for compound 1271017

Basic information

Technical information
  • TDR Targets ID: 1271017
  • Name: 5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol -2-amine
  • MW: 255.724 | Formula: C10H10ClN3OS
  • H donors: 1 H acceptors: 2 LogP: 2.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nnc(s1)CCOc1ccccc1Cl
  • InChi: 1S/C10H10ClN3OS/c11-7-3-1-2-4-8(7)15-6-5-9-13-14-10(12)16-9/h1-4H,5-6H2,(H2,12,14)
  • InChiKey: PUXVZFMPESRVJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [5-[2-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amine
  • ST5283341
  • MLS000529608
  • SMR000122083
  • 5-[2-(2-Chloro-phenoxy)-ethyl]-[1,3,4]thiadiazol-2-ylamine
  • BAS 07340763
  • ZINC00808209

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens huntingtin Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
Giardia lamblia Transglutaminase/protease, putative 0.0644 0.5 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0644 0.5 0.5
Echinococcus granulosus Transglutaminase 0.0644 0.5 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0644 0.5 0.5
Mycobacterium tuberculosis Conserved protein 0.0644 0.5 0.5
Onchocerca volvulus 0.0644 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0644 0.5 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0644 0.5 0.5
Mycobacterium ulcerans hypothetical protein 0.0644 0.5 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0644 0.5 0.5
Mycobacterium ulcerans putative transglutaminase-like protein 0.0644 0.5 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0644 0.5 0.5
Trichomonas vaginalis peptide N-glycanase, putative 0.0644 0.5 0.5
Schistosoma mansoni hypothetical protein 0.0644 0.5 0.5
Mycobacterium tuberculosis Long conserved protein 0.0644 0.5 0.5
Mycobacterium ulcerans transglutaminase family protein 0.0644 0.5 0.5
Giardia lamblia Hypothetical protein 0.0644 0.5 0.5
Echinococcus multilocularis Transglutaminase 0.0644 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7375 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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