Detailed information for compound 786400

Basic information

Technical information
  • TDR Targets ID: 786400
  • Name: N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]ph enyl]acetamide
  • MW: 330.81 | Formula: C12H11ClN2O3S2
  • H donors: 2 H acceptors: 3 LogP: 2.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)NS(=O)(=O)c1ccc(s1)Cl
  • InChi: 1S/C12H11ClN2O3S2/c1-8(16)14-9-2-4-10(5-3-9)15-20(17,18)12-7-6-11(13)19-12/h2-7,15H,1H3,(H,14,16)
  • InChiKey: CGUYJWPUWLHQNB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(5-chloro-2-thienyl)sulfonylamino]phenyl]acetamide
  • N-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenyl]ethanamide
  • C206-1037
  • NCGC00105551-01
  • T0517-1478
  • ZINC00470103
  • MLS000621484
  • N-(4-{[(5-chloro-2-thienyl)sulfonyl]amino}phenyl)acetamide
  • SMR000299586

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.2792 0.9118 1
Schistosoma mansoni thyroid hormone receptor 0.3038 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0246 0 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2103 0.2103
Schistosoma mansoni hypothetical protein 0.2792 0.9118 0.9118
Onchocerca volvulus Bile acid receptor homolog 0.0246 0 0.5
Onchocerca volvulus 0.0246 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.2792 0.9118 0.9118
Onchocerca volvulus Protein ultraspiracle homolog 0.0246 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.3038 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0113 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0765 0.1857 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0649 0.1441 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2103 0.2306
Brugia malayi Nuclear hormone receptor-like 1 0.0649 0.1441 0.7761
Brugia malayi Nuclear hormone receptor-like 1 0.0649 0.1441 0.7761
Loa Loa (eye worm) hypothetical protein 0.0635 0.1392 0.9654
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2103 0.2103

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 13.1154 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) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 22.3872 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 (binding) = 31.6228 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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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