Detailed information for compound 1437060

Basic information

Technical information
  • TDR Targets ID: 1437060
  • Name: N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]t hiophene-3-sulfonamide
  • MW: 351.487 | Formula: C16H21N3O2S2
  • H donors: 1 H acceptors: 2 LogP: 2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1ccc(cc1)CNS(=O)(=O)c1cscc1
  • InChi: 1S/C16H21N3O2S2/c1-18-7-9-19(10-8-18)15-4-2-14(3-5-15)12-17-23(20,21)16-6-11-22-13-16/h2-6,11,13,17H,7-10,12H2,1H3
  • InChiKey: NCYNZHPTHGTGMS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[4-(4-methyl-1-piperazinyl)phenyl]methyl]-3-thiophenesulfonamide
  • N-[4-(4-methylpiperazin-1-yl)benzyl]thiophene-3-sulfonamide
  • MLS000850882
  • N-[4-(4-methylpiperazino)benzyl]-3-thiophenesulfonamide
  • SMR000456899
  • Maybridge2_000737
  • MixCom4_000093

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1694 1 1
Treponema pallidum octaprenyl-diphosphate synthase 0.0644 0.3571 0.5
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0644 0.3571 0.142
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1694 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1694 1 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1694 1 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0644 0.3571 0.142
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1694 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1694 1 1
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.047 0.2506 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.0644 0.3571 0.142
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1694 1 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.1694 1 1
Brugia malayi Polyprenyl synthetase family protein 0.047 0.2506 0.2506
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1694 1 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.047 0.2506 0.5
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1694 1 1
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.047 0.2506 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1694 1 0.5
Trypanosoma cruzi polyprenyl synthase, putative 0.0644 0.3571 0.142
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.047 0.2506 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1694 1 1
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0644 0.3571 0.3571
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0644 0.3571 0.142
Loa Loa (eye worm) polyprenyl synthetase 0.047 0.2506 0.2506
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1694 1 1
Leishmania major polyprenyl synthase, putative 0.0644 0.3571 0.142
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0644 0.3571 0.3571
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1694 1 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.047 0.2506 0.5
Leishmania major farnesyl pyrophosphate synthase 0.1694 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.047 0.2506 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1694 1 1
Giardia lamblia Farnesyl diphosphate synthase 0.1694 1 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.047 0.2506 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1694 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 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 (binding) = 7.0795 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
Potency (functional) 10.4179 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) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.