Detailed information for compound 1417299

Basic information

Technical information
  • TDR Targets ID: 1417299
  • Name: 4-[(4-chlorophenyl)methoxy]-1,4-thiazinane 1, 1-dioxide
  • MW: 275.752 | Formula: C11H14ClNO3S
  • H donors: 0 H acceptors: 2 LogP: 1.58 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CON1CCS(=O)(=O)CC1
  • InChi: 1S/C11H14ClNO3S/c12-11-3-1-10(2-4-11)9-16-13-5-7-17(14,15)8-6-13/h1-4H,5-9H2
  • InChiKey: JNLCMZJZSFTRMU-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(4-chlorobenzyl)oxy-1,4-thiazinane 1,1-dioxide
  • 4-[(4-chlorobenzyl)oxy]-1lambda~6~,4-thiazinane-1,1-dione
  • MLS000721190
  • SMR000335613
  • ZINC01383748
  • 2R-0637
  • Oprea1_520170

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens galactosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Glycoside hydrolase, family 27 Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus granulosus Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Toxoplasma gondii melibiase subfamily protein Get druggable targets OG5_127620 All targets in OG5_127620
Neospora caninum hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Brugia malayi Melibiase family protein Get druggable targets OG5_127620 All targets in OG5_127620
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase precursor, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum expressed protein Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma japonicum Alpha-N-acetylgalactosaminidase, putative Get druggable targets OG5_127620 All targets in OG5_127620
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127620 All targets in OG5_127620
Echinococcus multilocularis Alpha N acetylgalactosaminidase Get druggable targets OG5_127620 All targets in OG5_127620

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
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4491 1
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0082 0.2534 0.1408
Trypanosoma brucei protein kinase, putative 0.0057 0.1311 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.8618 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4491 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3233 0.7199
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0057 0.1311 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0097 0.3233 0.3713
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0057 0.1311 0.2834
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.2534 0.5592
Brugia malayi MAP kinase sur-1 0.0057 0.1311 0.1468
Echinococcus granulosus mitogen activated protein kinase 3 0.0057 0.1311 0.2918
Echinococcus multilocularis mitogen activated protein kinase 3 0.0057 0.1311 0.2834
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0097 0.3233 0.7199
Trichomonas vaginalis set domain proteins, putative 0.024 1 1
Toxoplasma gondii melibiase subfamily protein 0.0124 0.4491 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3233 0.7166
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3233 0.7166
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0057 0.1311 0.5
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0124 0.4491 1
Brugia malayi Pre-SET motif family protein 0.0211 0.8618 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.2534 0.2897
Brugia malayi Melibiase family protein 0.0082 0.2534 0.2897
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3233 0.7166
Echinococcus granulosus mitogen activated protein kinase 0.0057 0.1311 0.2918
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0082 0.2534 0.5592
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0097 0.3233 0.3713
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.1311 0.5
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0057 0.1311 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0053 0.0118
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0124 0.4491 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0057 0.1311 0.1468
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4491 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0057 0.1311 0.5
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0124 0.4491 1
Echinococcus multilocularis mitogen activated protein kinase 0.0057 0.1311 0.2834
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.1311 0.2834
Plasmodium vivax SET domain protein, putative 0.003 0.0053 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0057 0.1311 0.5
Giardia lamblia Kinase, CMGC MAPK 0.0057 0.1311 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0097 0.3233 0.7166
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0124 0.4491 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0097 0.3233 0.7166
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0057 0.1311 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of Human alpha-Galactosidase at pH 4.5. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 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) 31.6228 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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