Detailed information for compound 1326000

Basic information

Technical information
  • TDR Targets ID: 1326000
  • Name: N-(3-chloro-2-methylphenyl)-2-([1,3]oxazolo[4 ,5-b]pyridin-2-ylsulfanyl)acetamide
  • MW: 333.793 | Formula: C15H12ClN3O2S
  • H donors: 1 H acceptors: 3 LogP: 3.77 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1C)Cl)CSc1nc2c(o1)cccn2
  • InChi: 1S/C15H12ClN3O2S/c1-9-10(16)4-2-5-11(9)18-13(20)8-22-15-19-14-12(21-15)6-3-7-17-14/h2-7H,8H2,1H3,(H,18,20)
  • InChiKey: JQRADACGNNTWED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-chloro-2-methyl-phenyl)-2-oxazolo[4,5-b]pyridin-2-ylsulfanyl-acetamide
  • N-(3-chloro-2-methylphenyl)-2-(2-oxazolo[4,5-b]pyridinylthio)acetamide
  • N-(3-chloro-2-methyl-phenyl)-2-(oxazolo[4,5-b]pyridin-2-ylthio)acetamide
  • N-(3-chloro-2-methyl-phenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethanamide
  • G293-0090
  • NCGC00130252-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.7734 0.7734
Trichomonas vaginalis maltase-glucoamylase, putative 0.0039 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2544 0.2544
Brugia malayi TAR-binding protein 0.0076 0.2544 0.2675
Loa Loa (eye worm) hypothetical protein 0.0054 0.1028 0.1081
Schistosoma mansoni alpha-glucosidase 0.0153 0.7808 0.7808
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0719 0.0719
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2544 0.2544
Schistosoma mansoni alpha-glucosidase 0.0153 0.7808 0.7808
Brugia malayi RNA binding protein 0.0076 0.2544 0.2675
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.2544 0.2675
Trypanosoma brucei glucosidase, putative 0.0039 0 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0719 0.0719
Echinococcus granulosus lysosomal alpha glucosidase 0.0178 0.951 0.951
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2544 0.2544
Schistosoma mansoni hypothetical protein 0.0152 0.7734 0.7734
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.1028 0.1081
Echinococcus granulosus tar DNA binding protein 0.0076 0.2544 0.2544
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0719 0.0719
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0178 0.951 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2544 0.2675
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0719 0.0756
Trichomonas vaginalis sucrase-isomaltase, putative 0.0039 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2544 0.2544
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2544 0.2675
Echinococcus multilocularis geminin 0.0185 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.1028 0.1081
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0 0.5
Schistosoma mansoni hypothetical protein 0.0185 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2544 0.2675
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0719 0.0756
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.951 0.951
Schistosoma mansoni hypothetical protein 0.0185 1 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0178 0.951 0.951
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2544 0.2544
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0178 0.951 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2544 0.2544
Onchocerca volvulus 0.0103 0.4357 0.5
Leishmania major alpha glucosidase II subunit, putative 0.0039 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0175 0.9331 0.9331
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0039 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0039 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0719 0.0719
Trichomonas vaginalis alpha-glucosidase, putative 0.0039 0 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0039 0 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.1028 0.1081
Schistosoma mansoni thyroid hormone receptor 0.0175 0.9331 0.9331
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.7734 0.7734
Echinococcus multilocularis thyroid hormone receptor alpha 0.0175 0.9331 0.9331
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0719 0.0719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0719 0.0719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0719 0.0719

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0025 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 0.8913 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
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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