Detailed information for compound 1196321

Basic information

Technical information
  • TDR Targets ID: 1196321
  • Name: 5-(3-methyl-1,2-oxazol-5-yl)-N-[3-(trifluorom ethyl)phenyl]thiophene-2-sulfonamide
  • MW: 388.385 | Formula: C15H11F3N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.89 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1noc(c1)c1ccc(s1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
  • InChi: 1S/C15H11F3N2O3S2/c1-9-7-12(23-19-9)13-5-6-14(24-13)25(21,22)20-11-4-2-3-10(8-11)15(16,17)18/h2-8,20H,1H3
  • InChiKey: QYZRZYWIFWLOLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3-methylisoxazol-5-yl)-N-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
  • 5-(3-methyl-5-isoxazolyl)-N-[3-(trifluoromethyl)phenyl]-2-thiophenesulfonamide
  • G008-4152
  • NCGC00128017-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3024 0.1694
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3024 0.1694
Loa Loa (eye worm) hypothetical protein 0.0014 0.022 0.0228
Brugia malayi TAR-binding protein 0.0063 0.3024 0.4102
Mycobacterium ulcerans polyketide synthase Pks13 0.0037 0.1541 1
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0024 0.0798 0.5182
Schistosoma mansoni hypothetical protein 0.0082 0.4123 0.3003
Schistosoma mansoni hypothetical protein 0.0185 1 1
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0021 0.0606 0.2064
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0023 0.0749 0.1078
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0842 0.5463
Loa Loa (eye worm) latrophilin receptor protein 2 0.0038 0.1602 0.245
Mycobacterium ulcerans polyketide synthase 0.0025 0.0842 0.4065
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0023 0.0749 0.4861
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0018 0.0444 0.288
Onchocerca volvulus 0.0043 0.1888 0.9285
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0047 0.2107 0.2448
Echinococcus multilocularis tar DNA binding protein 0.0063 0.3024 0.1694
Entamoeba histolytica hypothetical protein 0.0039 0.1673 0.5
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0037 0.1541 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.6297 1
Brugia malayi hypothetical protein 0.0039 0.1673 0.1666
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3024 0.1694
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1673 0.0085
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0026 0.0929 0.481
Mycobacterium leprae Probable polyketide synthase Pks1 0.0026 0.0929 0.481
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0025 0.0842 0.0167
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0014 0.0232 0.1505
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0016 0.0345 0.2574
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0025 0.0842 0.4065
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3024 0.1694
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0024 0.0798 0.5182
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0026 0.0929 0.6033
Toxoplasma gondii type I fatty acid synthase, putative 0.0018 0.0434 0.3708
Entamoeba histolytica hypothetical protein 0.0039 0.1673 0.5
Loa Loa (eye worm) RNA binding protein 0.0063 0.3024 0.4738
Loa Loa (eye worm) hypothetical protein 0.012 0.6297 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.002 0.0566 0.172
Brugia malayi RNA binding protein 0.0063 0.3024 0.4102
Loa Loa (eye worm) TAR-binding protein 0.0063 0.3024 0.4738
Schistosoma mansoni hypothetical protein 0.0039 0.1673 0.0085
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.3024 0.4102
Onchocerca volvulus Fatty acid synthase homolog 0.0045 0.1976 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0025 0.0842 0.4065
Mycobacterium ulcerans thioesterase TesA 0.0021 0.0606 0.2064
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0026 0.0929 0.481
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.6297 1
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0929 0.481
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0026 0.0929 0.6033
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0842 0.4065
Echinococcus multilocularis geminin 0.0185 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.3024 0.1694
Entamoeba histolytica hypothetical protein 0.0039 0.1673 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0026 0.0929 0.481
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0038 0.1602 0.1537
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.002 0.0584 0.3792
Echinococcus granulosus tar DNA binding protein 0.0063 0.3024 0.1694
Toxoplasma gondii type I fatty acid synthase, putative 0.0026 0.0929 1
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0842 0.4065
Brugia malayi Latrophilin receptor protein 2 0.0038 0.1602 0.1537
Schistosoma mansoni hypothetical protein 0.0185 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.3024 0.4738
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.002 0.0566 0.172
Loa Loa (eye worm) hypothetical protein 0.0038 0.1602 0.245
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1673 0.0085
Mycobacterium ulcerans Type I modular polyketide synthase 0.0025 0.0842 0.4065
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0026 0.0929 0.6033
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.4123 0.6083
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1673 0.0085
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0025 0.0842 0.5463
Mycobacterium ulcerans thioesterase 0.0021 0.0606 0.2064
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0025 0.0842 0.4065
Loa Loa (eye worm) hypothetical protein 0.0042 0.1803 0.2773
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0025 0.0842 0.5463
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0037 0.1541 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.002 0.0566 0.172
Mycobacterium tuberculosis Probable thioesterase TesA 0.0021 0.0606 0.3934
Loa Loa (eye worm) fatty acid synthase 0.0024 0.0823 0.1197
Mycobacterium leprae Polyketide synthase Pks13 0.0037 0.1541 1
Mycobacterium ulcerans polyketide synthase 0.0026 0.0929 0.481
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.6297 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.4123 0.6505
Entamoeba histolytica hypothetical protein 0.0039 0.1673 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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