Detailed information for compound 1424162

Basic information

Technical information
  • TDR Targets ID: 1424162
  • Name: 4-(4-methoxyphenyl)sulfonylthiomorpholine
  • MW: 273.372 | Formula: C11H15NO3S2
  • H donors: 0 H acceptors: 2 LogP: 1.46 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)N1CCSCC1
  • InChi: 1S/C11H15NO3S2/c1-15-10-2-4-11(5-3-10)17(13,14)12-6-8-16-9-7-12/h2-5H,6-9H2,1H3
  • InChiKey: DXCWDJMBQYTBMF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00193033
  • 4-(4-Methoxy-benzenesulfonyl)-thiomorpholine
  • BAS 03358724
  • Oprea1_660937

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0913 0.0913
Echinococcus granulosus cathepsin b 0.0153 0.4138 0.653
Onchocerca volvulus 0.0058 0.1298 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.1535 0.2423
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.1298 0.2048
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0913 0.0913
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.4138 0.4138
Trypanosoma brucei cysteine peptidase C (CPC) 0.0051 0.1087 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.6336 1
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.1298 0.3136
Toxoplasma gondii cathepsin B 0.0051 0.1087 0.19
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.1298 0.2048
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.1535 0.371
Trichomonas vaginalis hypothetical protein 0.0206 0.572 1
Brugia malayi mbt repeat family protein 0.0058 0.1298 0.3136
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0206 0.572 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0913 0.0913
Loa Loa (eye worm) hypothetical protein 0.0066 0.1535 0.371
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.1298 0.2048
Loa Loa (eye worm) hypothetical protein 0.0058 0.1298 0.3136
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0913 0.1441
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0913 0.2206
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0051 0.1087 0.2627
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.1535 0.2423
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0206 0.572 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.1535 0.2423
Brugia malayi mbt repeat family protein 0.0058 0.1298 0.3136
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0913 0.1441
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0913 0.2206
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0051 0.1087 0.1087
Echinococcus multilocularis cathepsin b 0.0153 0.4138 0.653
Echinococcus multilocularis cathepsin b 0.0153 0.4138 0.653
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1298 0.1298
Loa Loa (eye worm) MBCTL1 0.0066 0.1535 0.371
Schistosoma mansoni hypothetical protein 0.0205 0.5671 0.5671
Loa Loa (eye worm) hypothetical protein 0.0153 0.4138 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.1298 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0206 0.572 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0206 0.572 1
Plasmodium falciparum enoyl-acyl carrier reductase 0.0206 0.572 1
Loa Loa (eye worm) cathepsin B 0.0051 0.1087 0.2627
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0913 0.1441
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.1298 0.2048
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0153 0.4138 0.4138
Schistosoma mansoni hypothetical protein 0.0205 0.5671 0.5671
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.1298 0.1298
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0153 0.4138 1
Giardia lamblia Cathepsin B precursor 0.0051 0.1087 0.5
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0051 0.1087 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0206 0.572 1
Giardia lamblia Cathepsin B precursor 0.0051 0.1087 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.6336 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0913 0.1441
Echinococcus granulosus geminin 0.0205 0.5671 0.895
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0206 0.572 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.1535 0.2423
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0206 0.572 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.4138 0.4138
Giardia lamblia Cathepsin B precursor 0.0051 0.1087 0.5
Echinococcus granulosus cathepsin b 0.0153 0.4138 0.653
Brugia malayi cathepsin B-like cysteine proteinase 0.0153 0.4138 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.1535 0.1535
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0153 0.4138 0.4138
Echinococcus multilocularis geminin 0.0205 0.5671 0.895
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0014 0 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.1298 0.1298

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8356 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 18.526 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) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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