Detailed information for compound 1430337

Basic information

Technical information
  • TDR Targets ID: 1430337
  • Name: 2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(1,3- thiazol-2-yl)benzamide
  • MW: 422.307 | Formula: C14H13Cl2N3O4S2
  • H donors: 1 H acceptors: 4 LogP: 2.15 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(c(cc1Cl)Cl)S(=O)(=O)N1CCOCC1)Nc1nccs1
  • InChi: 1S/C14H13Cl2N3O4S2/c15-10-8-11(16)12(25(21,22)19-2-4-23-5-3-19)7-9(10)13(20)18-14-17-1-6-24-14/h1,6-8H,2-5H2,(H,17,18,20)
  • InChiKey: SYPVSDULPPCGLN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,4-dichloro-5-morpholinosulfonyl-N-thiazol-2-yl-benzamide
  • 2,4-dichloro-5-morpholinosulfonyl-N-(2-thiazolyl)benzamide
  • A1269/0058037
  • MLS000123976
  • SMR000124476
  • Oprea1_343959
  • 2,4-Dichloro-5-(morpholine-4-sulfonyl)-N-thiazol-2-yl-benzamide
  • BAS 00822787
  • ZINC00837325

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor 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
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0073 0.673 0.8768
Loa Loa (eye worm) glutamate receptor 0.008 0.7676 0.7676
Echinococcus granulosus metabotropic glutamate receptor 2 0.0067 0.6043 0.6043
Loa Loa (eye worm) hypothetical protein 0.0099 1 1
Brugia malayi Receptor family ligand binding region containing protein 0.0021 0.0196 0.0255
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.5147 0.6705
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.5147 0.6705
Schistosoma mansoni metabotropic glutamate receptor 0.0067 0.6043 0.6674
Loa Loa (eye worm) hypothetical protein 0.0041 0.2765 0.2765
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.2765 0.3602
Brugia malayi metabotropic glutamate receptor type 2 0.0039 0.252 0.3283
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0067 0.6043 0.6043
Schistosoma mansoni metabotropic glutamate receptor 0.0039 0.252 0.2783
Brugia malayi Metabotropic glutamate receptor precursor. 0.008 0.7676 1
Loa Loa (eye worm) glutamate receptor 0.0032 0.1574 0.1574
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0021 0.0196 0.0196
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.5147 0.5147
Schistosoma mansoni hypothetical protein 0.0041 0.2765 0.3053
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0099 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.5147 0.5147
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0021 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0021 0.0196 0.0196
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0091 0.9054 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 64.563 uM PUBCHEM_BIOASSAY: TRFRET-based cell-based high throughput dose response assay for biased ligands (antagonists) of the melanocortin 4 receptor (MC4R). (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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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

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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