Detailed information for compound 1218610

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 391.869 | Formula: C19H18ClNO4S
  • H donors: 0 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=CCN(C1c1ccccc1)S(=O)(=O)c1cccc(c1)Cl
  • InChi: 1S/C19H18ClNO4S/c1-2-25-19(22)17-11-12-21(18(17)14-7-4-3-5-8-14)26(23,24)16-10-6-9-15(20)13-16/h3-11,13,18H,2,12H2,1H3
  • InChiKey: VJWHHZDHEORPAD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing 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
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni tar DNA-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
Brugia malayi RNA 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
Brugia malayi RNA recognition motif domain containing 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
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
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
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 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0082 0.4168 0.4168
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 0.7759 0.7759
Schistosoma mansoni tar DNA-binding protein 0.0076 0.362 0.8686
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.362 0.362
Loa Loa (eye worm) transcription factor SMAD2 0.0144 1 1
Brugia malayi RNA binding protein 0.0076 0.362 0.362
Schistosoma mansoni tar DNA-binding protein 0.0076 0.362 0.8686
Echinococcus multilocularis tar DNA binding protein 0.0076 0.362 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0615 0.1475
Schistosoma mansoni hypothetical protein 0.0082 0.4168 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.362 0.8686
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.012 0.7759 0.7759
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0615 0.1698
Loa Loa (eye worm) hypothetical protein 0.012 0.7759 0.7759
Loa Loa (eye worm) TAR-binding protein 0.0076 0.362 0.362
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.362 0.362
Schistosoma mansoni tar DNA-binding protein 0.0076 0.362 0.8686
Loa Loa (eye worm) RNA binding protein 0.0076 0.362 0.362
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0615 0.1698
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0615 0.0615
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0615 0.1698
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.4168 0.4168
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0615 0.0615
Schistosoma mansoni tar DNA-binding protein 0.0076 0.362 0.8686
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0615 0.1475
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0615 0.1698
Echinococcus granulosus tar DNA binding protein 0.0076 0.362 1
Brugia malayi TAR-binding protein 0.0076 0.362 0.362
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 0.7759 0.7759
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0615 0.1475

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) 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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