Detailed information for compound 1337528

Basic information

Technical information
  • TDR Targets ID: 1337528
  • Name: 7-piperidin-1-ylsulfonyl-2,1,3-benzothiadiazo le
  • MW: 283.37 | Formula: C11H13N3O2S2
  • H donors: 0 H acceptors: 4 LogP: 1.79 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1cccc2c1nsn2)N1CCCCC1
  • InChi: 1S/C11H13N3O2S2/c15-18(16,14-7-2-1-3-8-14)10-6-4-5-9-11(10)13-17-12-9/h4-6H,1-3,7-8H2
  • InChiKey: NXOMFMSHYBXJTM-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(1-piperidylsulfonyl)-2,1,3-benzothiadiazole
  • 4-piperidinosulfonylpiazthiole
  • STOCK1S-87545
  • ZINC00223881
  • 4-(1-Piperidinylsulfonyl)-2,1,3-benzothiadiazole
  • Benzo[c]1,2,5-thiadiazole, 4-(1-piperidylsulfonyl)-
  • Oprea1_191128
  • ChemDiv3_013852
  • Oprea1_022136

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470

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
Brugia malayi amine oxidase, flavin-containing family protein 0.0368 0.1202 1
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Onchocerca volvulus 0.0368 0.1202 1
Toxoplasma gondii histone lysine-specific demethylase 0.0368 0.1202 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0368 0.1202 1
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0368 0.1202 1
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0368 0.1202 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0368 0.1202 0.1387
Trypanosoma cruzi UDP-galactopyranose mutase 0.0368 0.1202 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0368 0.1202 0.1202
Schistosoma mansoni amine oxidase 0.0368 0.1202 0.1202
Trypanosoma cruzi UDP-galactopyranose mutase 0.0368 0.1202 0.5
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Plasmodium vivax hypothetical protein, conserved 0.0368 0.1202 1
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Brugia malayi hypothetical protein 0.0368 0.1202 1
Echinococcus multilocularis 0.0368 0.1202 0.1202
Echinococcus granulosus protoporphyrinogen oxidase 0.243 0.8667 1
Echinococcus multilocularis protoporphyrinogen oxidase 0.2798 1 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2798 1 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0368 0.1202 0.1387
Brugia malayi Pre-SET motif family protein 0.0251 0.0779 0.6483
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2798 1 0.5
Schistosoma mansoni amine oxidase 0.0368 0.1202 0.1202
Plasmodium falciparum protoporphyrinogen oxidase 0.0368 0.1202 0.5
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0368 0.1202 0.1202
Brugia malayi SWIRM domain containing protein 0.0368 0.1202 1
Leishmania major UDP-galactopyranose mutase 0.0368 0.1202 0.5
Plasmodium vivax hypothetical protein, conserved 0.0368 0.1202 1
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2798 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0779 0.6483
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.243 0.8667 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0905 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0368 0.1202 0.5
Onchocerca volvulus 0.0286 0.0905 0.7528
Loa Loa (eye worm) hypothetical protein 0.0368 0.1202 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0368 0.1202 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3981 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 8.2753 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 (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.