Detailed information for compound 1374666

Basic information

Technical information
  • TDR Targets ID: 1374666
  • Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(3,4-d imethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]prop anamide
  • MW: 477.961 | Formula: C22H24ClN3O5S
  • H donors: 2 H acceptors: 4 LogP: 4.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1onc(c1C)C)Oc1cc(C)c(c(c1)C)Cl
  • InChi: 1S/C22H24ClN3O5S/c1-12-10-18(11-13(2)20(12)23)30-16(5)21(27)24-17-6-8-19(9-7-17)32(28,29)26-22-14(3)15(4)25-31-22/h6-11,16,26H,1-5H3,(H,24,27)
  • InChiKey: MODPUOQDWPSKGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]propanamide
  • 2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]propanamide
  • 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]propionamide
  • 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]propanamide

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 solute carrier family 5 (sodium/choline cotransporter), member 7 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum High affinity choline transporter 1, putative Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma japonicum IPR001734,Na+/solute symporter,domain-containing Get druggable targets OG5_131601 All targets in OG5_131601
Echinococcus granulosus high affinity choline transporter 1 Get druggable targets OG5_131601 All targets in OG5_131601
Brugia malayi GH02984p Get druggable targets OG5_131601 All targets in OG5_131601
Schistosoma mansoni high-affinity choline transporter Get druggable targets OG5_131601 All targets in OG5_131601
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131601 All targets in OG5_131601
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
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1027 0.1027
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0145 0.3156 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0145 0.3156 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0145 0.3156 0.5
Leishmania major monoglyceride lipase, putative 0.0145 0.3156 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1027 0.1027
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0145 0.3156 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0145 0.3156 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1027 0.1027
Schistosoma mansoni sodium/solute symporter 0.0046 0.068 0.068
Plasmodium falciparum esterase, putative 0.0145 0.3156 0.5
Plasmodium vivax PST-A protein 0.0145 0.3156 0.5
Plasmodium falciparum lysophospholipase, putative 0.0145 0.3156 0.5
Loa Loa (eye worm) hypothetical protein 0.0046 0.068 0.068
Echinococcus granulosus sodium:glucose cotransporter 0.0046 0.068 0.068
Echinococcus granulosus sodium:glucose cotransporter 2 0.0046 0.068 0.068
Trichomonas vaginalis conserved hypothetical protein 0.0145 0.3156 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0552 0.0552
Echinococcus granulosus solute carrier family 5 0.0046 0.068 0.068
Echinococcus granulosus sodium:myo inositol cotransporter 0.0046 0.068 0.068
Mycobacterium ulcerans lysophospholipase 0.0145 0.3156 0.5
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0046 0.068 0.068
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0046 0.068 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0145 0.3156 0.5
Schistosoma mansoni high-affinity choline transporter 0.042 1 1
Echinococcus multilocularis solute carrier family 5 0.0046 0.068 0.068
Onchocerca volvulus 0.0046 0.068 0.5
Plasmodium falciparum lysophospholipase, putative 0.0145 0.3156 0.5
Schistosoma mansoni inositol transporter 0.0046 0.068 0.068
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0552 0.0552
Mycobacterium tuberculosis Possible lysophospholipase 0.0145 0.3156 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0145 0.3156 0.5
Brugia malayi Sodium:solute symporter family protein 0.0046 0.068 0.068
Echinococcus multilocularis high affinity choline transporter 1 0.042 1 1
Loa Loa (eye worm) hypothetical protein 0.042 1 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0145 0.3156 0.5
Schistosoma mansoni inositol transporter 0.0046 0.068 0.068
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0145 0.3156 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0552 0.0552
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0145 0.3156 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1027 0.1027
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0145 0.3156 0.5
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0046 0.068 0.068
Mycobacterium ulcerans hypothetical protein 0.0145 0.3156 0.5
Plasmodium falciparum lysophospholipase, putative 0.0145 0.3156 0.5
Echinococcus granulosus high affinity choline transporter 1 0.042 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0145 0.3156 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0145 0.3156 0.5
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0046 0.068 0.068
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0046 0.068 0.068

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 3.981071706 uM PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 19.9526 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) 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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