Detailed information for compound 1485387

Basic information

Technical information
  • TDR Targets ID: 1485387
  • Name: 3-pyrrolidin-1-yl-1,2-benzothiazole 1,1-dioxi de
  • MW: 236.29 | Formula: C11H12N2O2S
  • H donors: 0 H acceptors: 2 LogP: 1.15 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S1(=O)N=C(c2c1cccc2)N1CCCC1
  • InChi: 1S/C11H12N2O2S/c14-16(15)10-6-2-1-5-9(10)11(12-16)13-7-3-4-8-13/h1-2,5-6H,3-4,7-8H2
  • InChiKey: JRECFGLTBSWLQK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-1-pyrrolidinyl-1,2-benzothiazole 1,1-dioxide
  • 53541-65-4
  • 1,2-Benzisothiazole, 3-(1-pyrrolidinyl)-, 1,1-dioxide
  • MLS001163101
  • SMR000499424
  • 3-(1-Pyrrolidinyl)-1,2-benzisothiazole 1,1-dioxide
  • STK320561

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0266 0 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.2018 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2018 1 0.5
Echinococcus granulosus protoporphyrinogen oxidase 0.1753 0.8485 1
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Onchocerca volvulus 0.0266 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0266 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0266 0 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0266 0 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0266 0 0.5
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.1753 0.8485 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0266 0 0.5
Plasmodium vivax hypothetical protein, conserved 0.0266 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Brugia malayi amine oxidase, flavin-containing family protein 0.0266 0 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0266 0 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0266 0 0.5
Leishmania major UDP-galactopyranose mutase 0.0266 0 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2018 1 1
Loa Loa (eye worm) hypothetical protein 0.0266 0 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2018 1 1
Brugia malayi hypothetical protein 0.0266 0 0.5
Brugia malayi SWIRM domain containing protein 0.0266 0 0.5
Trypanosoma cruzi UDP-galactopyranose mutase 0.0266 0 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0266 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 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) 5.1735 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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