Detailed information for compound 1282280

Basic information

Technical information
  • TDR Targets ID: 1282280
  • Name: 2-[(2,6-dichlorophenyl)amino]pyridine-3-sulfo namide
  • MW: 318.179 | Formula: C11H9Cl2N3O2S
  • H donors: 2 H acceptors: 3 LogP: 3.1 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1Nc1ncccc1S(=O)(=O)N)Cl
  • InChi: 1S/C11H9Cl2N3O2S/c12-7-3-1-4-8(13)10(7)16-11-9(19(14,17)18)5-2-6-15-11/h1-6H,(H,15,16)(H2,14,17,18)
  • InChiKey: CTUDWPLUUVGGGP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2,6-dichlorophenyl)amino]-3-pyridinesulfonamide
  • AJ-333/09219027
  • MLS000540142
  • SMR000162103
  • 2-(2,6-dichloroanilino)-3-pyridinesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis protein dispatched 1 0.1353 0.4057 0.4038
Loa Loa (eye worm) beta-lactamase 0.0043 0.0032 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0087 0.0087
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0068 0.0036
Onchocerca volvulus 0.0043 0.0032 0.5
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.3287 1 1
Echinococcus granulosus Protein patched homolog 1 0.1353 0.4057 0.4038
Brugia malayi TAR-binding protein 0.0062 0.0087 0.0087
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0087 0.0087
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.3287 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0047 0.0047
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3287 1 1
Loa Loa (eye worm) hypothetical protein 0.3287 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0032 0.0032
Echinococcus multilocularis protein patched 0.1353 0.4057 0.4038
Echinococcus multilocularis Niemann Pick C1 protein 0.1353 0.4057 0.4038
Brugia malayi CHE-14 protein 0.1353 0.4057 0.4057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0068 0.0036
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.3287 1 1
Brugia malayi RNA binding protein 0.0062 0.0087 0.0087
Brugia malayi MH2 domain containing protein 0.0116 0.0255 0.0255
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.3287 1 1
Toxoplasma gondii ABC1 family protein 0.0043 0.0032 0.5
Onchocerca volvulus 0.0043 0.0032 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0752 1
Echinococcus granulosus sterol regulatory element binding protein 0.1353 0.4057 0.4038
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0087 0.0087
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.0255 0.0255
Echinococcus multilocularis sterol regulatory element binding protein 0.1353 0.4057 0.4038
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1542 0.4637 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0087 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0047 0.0047
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0047 0.0047
Echinococcus granulosus Niemann Pick C1 protein 0.1353 0.4057 0.4038
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0068 0.0068
Schistosoma mansoni patched 1 0.1353 0.4057 0.4057
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1542 0.4637 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0068 0.0068
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0032 0.0032
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0032 0.0032
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0087 0.0056
Loa Loa (eye worm) RNA binding protein 0.0062 0.0087 0.0087
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1542 0.4637 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0032 0.5
Mycobacterium leprae Probable lipase LipE 0.0043 0.0032 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.1353 0.4057 0.4057
Onchocerca volvulus 0.0043 0.0032 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.3287 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Brugia malayi beta-lactamase family protein 0.0043 0.0032 0.0032
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.3287 1 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1353 0.4057 0.4057
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0032 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0032 0.0032
Echinococcus granulosus tar DNA binding protein 0.0062 0.0087 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.1353 0.4057 0.874
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0087 0.0087
Brugia malayi beta-lactamase 0.0043 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0048 0.0047 0.0047
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0068 0.0036
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0032 0.0032
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1542 0.4637 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1353 0.4057 0.4057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0068 0.0036
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0043 0.0032 0.0032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0068 0.0068
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0087 0.0087
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.3287 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7943 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) = 3.1623 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) 3.9811 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 20.5962 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) 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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