Detailed information for compound 1293369

Basic information

Technical information
  • TDR Targets ID: 1293369
  • Name: 4-(4-methoxyphenoxy)-1-phenylsulfonylpiperidi ne
  • MW: 347.429 | Formula: C18H21NO4S
  • H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OC1CCN(CC1)S(=O)(=O)c1ccccc1
  • InChi: 1S/C18H21NO4S/c1-22-15-7-9-16(10-8-15)23-17-11-13-19(14-12-17)24(20,21)18-5-3-2-4-6-18/h2-10,17H,11-14H2,1H3
  • InChiKey: PKAQFWDCXQBKEJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(4-methoxyphenoxy)-1-phenylsulfonyl-piperidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) 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
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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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 guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis 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 mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.1011 0.1866
Echinococcus multilocularis tar DNA binding protein 0.0076 0.3905 0.3905
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2534 0.2534
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2534 0.2534
Loa Loa (eye worm) hypothetical protein 0.0032 0.1011 0.1866
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3905 0.3905
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0245 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.3378 0.3378
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0245 0.4005
Loa Loa (eye worm) hypothetical protein 0.002 0.0245 0.0453
Leishmania major DNA polymerase kappa, putative 0.002 0.0245 0.4005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2534 0.2534
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2534 0.2534
Brugia malayi hypothetical protein 0.0016 0.0031 0.0057
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0245 0.4005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2534 0.2534
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0245 0.0245
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0245 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.5417 1
Schistosoma mansoni hypothetical protein 0.0032 0.1011 0.1011
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0245 0.0245
Echinococcus multilocularis GPCR, family 2 0.0032 0.1011 0.1011
Loa Loa (eye worm) RNA binding protein 0.0076 0.3905 0.721
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Leishmania major hypothetical protein, conserved 0.0025 0.0612 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2534 0.2534
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0245 0.5
Echinococcus granulosus dna polymerase kappa 0.002 0.0245 0.0245
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.5417 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0245 0.4005
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0245 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.3905 0.721
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.5417 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0612 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.1011 0.1011
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0245 0.0453
Loa Loa (eye worm) hypothetical protein 0.0068 0.3378 0.6235
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0245 0.0453
Brugia malayi Latrophilin receptor protein 2 0.0032 0.1011 0.1866
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0245 0.0245
Schistosoma mansoni hypothetical protein 0.0032 0.1011 0.1011
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0245 0.0453
Brugia malayi TAR-binding protein 0.0076 0.3905 0.721
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3905 0.3905
Echinococcus granulosus dna polymerase eta 0.002 0.0245 0.0245
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0245 0.0245
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0245 0.4005
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0612 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3905 0.3905
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2534 0.4679
Echinococcus multilocularis dna polymerase kappa 0.002 0.0245 0.0245
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0612 1
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0612 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.3905 0.721
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0245 0.4005
Echinococcus granulosus GPCR family 2 0.0032 0.1011 0.1011
Brugia malayi hypothetical protein 0.0025 0.0612 0.113
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Echinococcus multilocularis dna polymerase eta 0.002 0.0245 0.0245
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2534 0.4679
Schistosoma mansoni DNA polymerase eta 0.002 0.0245 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3905 0.3905
Schistosoma mansoni hypothetical protein 0.0032 0.1011 0.1011
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0245 0.4005
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0612 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Trypanosoma brucei unspecified product 0.002 0.0245 0.4005
Schistosoma mansoni hypothetical protein 0.0032 0.1011 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.1011 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2534 0.2534
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0245 0.4005
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.1011 0.1011
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0245 0.4005
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3378 0.6235
Loa Loa (eye worm) hypothetical protein 0.01 0.5417 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0245 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Brugia malayi RNA binding protein 0.0076 0.3905 0.721
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0612 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.3905 0.3905
Schistosoma mansoni tar DNA-binding protein 0.0076 0.3905 0.3905
Loa Loa (eye worm) hypothetical protein 0.0025 0.0612 0.113
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0245 0.5
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0245 0.4005
Leishmania major DNA polymerase eta, putative 0.002 0.0245 0.4005
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.3905 0.721
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.1011 0.1866
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0245 0.4005
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.1011 0.1011
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0245 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0245 0.4005
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0612 1
Giardia lamblia DINP protein human, muc B family 0.002 0.0245 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2617 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) 2.5119 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) 5.0119 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) = 50.1187 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

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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