Detailed information for compound 1452342

Basic information

Technical information
  • TDR Targets ID: 1452342
  • Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(4-ethoxyp henoxy)butanamide
  • MW: 308.396 | Formula: C15H20N2O3S
  • H donors: 1 H acceptors: 1 LogP: 2.24 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)OCCCC(=O)NC1=NCCS1
  • InChi: 1S/C15H20N2O3S/c1-2-19-12-5-7-13(8-6-12)20-10-3-4-14(18)17-15-16-9-11-21-15/h5-8H,2-4,9-11H2,1H3,(H,16,17,18)
  • InChiKey: IOQOARLOIBZNMB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4,5-dihydrothiazol-2-yl)-4-(4-ethoxyphenoxy)butanamide
  • N-(4,5-dihydrothiazol-2-yl)-4-(4-ethoxyphenoxy)butyramide
  • MLS000571568
  • SMR000151004
  • T5284818
  • ZINC05978600

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens arachidonate 12-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 12-lipoxygenase 663 aa 662 aa 22.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi N-terminal motif family protein 0.0189 0.2046 0.6328
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0045 0.0262 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.0529 0.0529
Schistosoma mansoni hypothetical protein 0.0072 0.0592 0.0592
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3233 0.3233
Schistosoma mansoni survival motor neuron protein 0.0058 0.0425 0.0425
Schistosoma mansoni hypothetical protein 0.0058 0.0425 0.0425
Mycobacterium ulcerans hypothetical protein 0.0317 0.362 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0189 0.2046 1
Echinococcus multilocularis GPCR, family 2 0.0033 0.0116 0.0116
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.1002 0.3099
Echinococcus multilocularis Aminotransferase class III 0.0045 0.0262 0.0262
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0116 0.0116
Plasmodium vivax ornithine aminotransferase, putative 0.0045 0.0262 1
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0317 0.362 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.1002 0.3099
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0045 0.0262 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0045 0.0262 0.0262
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0045 0.0262 0.0811
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0116 0.0116
Schistosoma mansoni hypothetical protein 0.0033 0.0116 0.0116
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0317 0.362 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0116 0.0359
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.1002 0.3099
Echinococcus granulosus ornithine aminotransferase 0.0045 0.0262 0.0262
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0262 0.0262
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0116 0.0116
Echinococcus granulosus GPCR family 2 0.0033 0.0116 0.0116
Schistosoma mansoni hypothetical protein 0.0033 0.0116 0.0116
Schistosoma mansoni hypothetical protein 0.0033 0.0116 0.0116
Echinococcus granulosus Aminotransferase class III 0.0045 0.0262 0.0262
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0592 0.1831
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0317 0.362 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0033 0.0116 0.0359
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.0592 0.1831
Plasmodium falciparum ornithine aminotransferase 0.0045 0.0262 1
Mycobacterium tuberculosis Probable aminotransferase 0.0317 0.362 1
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0317 0.362 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0116 0.0116
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3233 0.3233
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0425 0.1316
Loa Loa (eye worm) hypothetical protein 0.0189 0.2046 0.6328
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0116 0.0359
Schistosoma mansoni lipoxygenase 0.0067 0.0529 0.0529
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0262 0.0262
Loa Loa (eye worm) hypothetical protein 0.0105 0.1002 0.3099
Onchocerca volvulus 0.0058 0.0425 0.2079
Loa Loa (eye worm) hypothetical protein 0.0286 0.3233 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0116 0.0359
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0045 0.0262 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0116 0.0116
Brugia malayi hypothetical protein 0.0286 0.3233 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.609 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 12-hLO (12-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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