Detailed information for compound 690800

Basic information

Technical information
  • TDR Targets ID: 690800
  • Name: N-(2-ethylphenyl)-2-[(5-pyridin-4-yl-1,3,4-ox adiazol-2-yl)sulfanyl]acetamide
  • MW: 340.4 | Formula: C17H16N4O2S
  • H donors: 1 H acceptors: 4 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccccc1NC(=O)CSc1nnc(o1)c1ccncc1
  • InChi: 1S/C17H16N4O2S/c1-2-12-5-3-4-6-14(12)19-15(22)11-24-17-21-20-16(23-17)13-7-9-18-10-8-13/h3-10H,2,11H2,1H3,(H,19,22)
  • InChiKey: VYHHHPCIXRYYSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-ethylphenyl)-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
  • N-(2-ethylphenyl)-2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetamide
  • N-(2-ethylphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamide
  • MLS000684766
  • SMR000324383

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) latrophilin receptor protein 2 0.0016 0.0474 0.0474
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0474 0.0474
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4254 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2638 0.2638
Brugia malayi Inositol-1 0.0036 0.1909 0.1909
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.4254 0.4254
Echinococcus multilocularis muscleblind protein 0.0145 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.1909 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.1891 0.1891
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0474 0.0474
Onchocerca volvulus Bile acid receptor homolog 0.001 0 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1909 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1909 0.5
Schistosoma mansoni hypothetical protein 0.0016 0.0474 0.1113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2638 0.62
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.1631 0.5
Loa Loa (eye worm) hypothetical protein 0.0052 0.3113 0.3113
Echinococcus granulosus GPCR family 2 0.0016 0.0474 0.0474
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.1909 0.1909
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.1909 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 0.1909 0.4488
Schistosoma mansoni inositol monophosphatase 0.0036 0.1909 0.4488
Schistosoma mansoni hypothetical protein 0.0016 0.0474 0.1113
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2638 0.62
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.1909 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.3113 0.3113
Echinococcus multilocularis tar DNA binding protein 0.0067 0.4254 0.4254
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1909 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.1891 0.4446
Schistosoma mansoni hypothetical protein 0.0016 0.0474 0.1113
Brugia malayi TAR-binding protein 0.0067 0.4254 0.4254
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4254 1
Echinococcus multilocularis muscleblind protein 1 0.0145 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0474 0.0474
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.1909 0.1909
Loa Loa (eye worm) RNA binding protein 0.0067 0.4254 0.4254
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.1909 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0474 0.0474
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2638 0.62
Loa Loa (eye worm) hypothetical protein 0.0016 0.0474 0.0474
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2638 0.2638
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.3113 0.3113
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4254 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2638 0.2638
Loa Loa (eye worm) TAR-binding protein 0.0067 0.4254 0.4254
Loa Loa (eye worm) inositol-1 0.0036 0.1909 0.1909
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0474 0.0474
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0 0.5
Echinococcus multilocularis GPCR, family 2 0.0016 0.0474 0.0474
Onchocerca volvulus 0.001 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4254 1
Echinococcus granulosus muscleblind protein 0.0145 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.3113 0.3113
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1891 0.1891
Echinococcus granulosus tar DNA binding protein 0.0067 0.4254 0.4254
Brugia malayi RNA binding protein 0.0067 0.4254 0.4254
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0032 0.1631 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0474 0.0474
Schistosoma mansoni hypothetical protein 0.0016 0.0474 0.1113
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1909 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2638 0.2638
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.1909 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.4254 0.4254
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.1909 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.1909 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.4254 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2638 0.2638
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2638 0.2638

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) > 195 uM PUBCHEM_BIOASSAY: HSF-1 induced GFP reporter and Doxycycline induced RFP reporter Measured in Cell-Based System Using Plate Reader - 2038-03_Inhibitor_DoseNoFile_CherryPick_Internal-Standard_Set3. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2118] ChEMBL. No reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 5.6234 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 (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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