Detailed information for compound 1274073

Basic information

Technical information
  • TDR Targets ID: 1274073
  • Name: 2,4-dichloro-N-[2-(phenoxy)ethyl]-5-sulfamoyl benzamide
  • MW: 389.254 | Formula: C15H14Cl2N2O4S
  • H donors: 2 H acceptors: 3 LogP: 2.69 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc(c(cc1Cl)Cl)S(=O)(=O)N)NCCOc1ccccc1
  • InChi: 1S/C15H14Cl2N2O4S/c16-12-9-13(17)14(24(18,21)22)8-11(12)15(20)19-6-7-23-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,19,20)(H2,18,21,22)
  • InChiKey: NWBBFMWVZOTXRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,4-dichloro-N-[2-(phenoxy)ethyl]-5-sulfamoyl-benzamide
  • A2732/0115993
  • AG-205/41005842
  • ZINC02191496
  • 5-(aminosulfonyl)-2,4-dichloro-N-(2-phenoxyethyl)benzamide
  • MLS000705723
  • SMR000230714

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens carbonic anhydrase IX Starlite/ChEMBL References
Homo sapiens carbonic anhydrase I Starlite/ChEMBL References
Homo sapiens carbonic anhydrase II Starlite/ChEMBL References
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma brucei carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Eukaryotic-type carbonic anhydrase family protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma japonicum ko:K01672 carbonic anhydrase [EC4.2.1.1], putative Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania braziliensis carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania infantum carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Brugia malayi Putative carbonic anhydrase 5 precursor Get druggable targets OG5_127628 All targets in OG5_127628
Loa Loa (eye worm) carbonic anhydrase 3 Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania major carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma brucei gambiense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Leishmania mexicana carbonic anhydrase-like protein Get druggable targets OG5_127628 All targets in OG5_127628
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) Get druggable targets OG5_127628 All targets in OG5_127628
Echinococcus granulosus carbonic anhydrase II Get druggable targets OG5_127628 All targets in OG5_127628
Trypanosoma cruzi carbonic anhydrase-like protein, putative Get druggable targets OG5_127628 All targets in OG5_127628
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei carbonic anhydrase-like protein carbonic anhydrase I 261 aa 281 aa 25.3 %
Brugia malayi Carbonic anhydrase like protein 2 precursor carbonic anhydrase II 260 aa 259 aa 32.0 %
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
Treponema pallidum hexokinase (hxk) 0.1486 1 0.5
Echinococcus granulosus hexokinase 0.1486 1 1
Leishmania major hexokinase, putative 0.1486 1 1
Brugia malayi hexokinase type II 0.0473 0.2901 0.2901
Loa Loa (eye worm) hypothetical protein 0.0101 0.0297 0.0284
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.0297 0.0297
Schistosoma mansoni hexokinase 0.1486 1 1
Echinococcus multilocularis hexokinase 0.1486 1 1
Loa Loa (eye worm) hypothetical protein 0.0664 0.424 0.4232
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.0297 0.0297
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0014 0.0014
Schistosoma mansoni carbonic anhydrase 0.0101 0.0297 0.0297
Onchocerca volvulus 0.1486 1 1
Trypanosoma cruzi hexokinase, putative 0.1486 1 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0679 0.4345 0.4337
Toxoplasma gondii hexokinase 0.1486 1 1
Echinococcus multilocularis hexokinase 0.1486 1 1
Entamoeba histolytica hexokinase 2 0.1486 1 0.5
Onchocerca volvulus 0.0933 0.6122 0.6122
Brugia malayi Hexokinase family protein 0.046 0.2813 0.2813
Loa Loa (eye worm) hypothetical protein 0.0286 0.1592 0.158
Brugia malayi Hexokinase family protein 0.1486 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0101 0.0297 0.0297
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0214 0.1093 0.1093
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.0297 0.0297
Echinococcus granulosus hexokinase type 2 0.1486 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1592 0.1334
Loa Loa (eye worm) hypothetical protein 0.0101 0.0297 0.0284
Brugia malayi Hexokinase family protein 0.0933 0.6122 0.6122
Echinococcus multilocularis hexokinase 0.1486 1 1
Leishmania major hexokinase, putative 0.1486 1 1
Loa Loa (eye worm) hexokinase type II 0.1486 1 1
Onchocerca volvulus 0.1486 1 1
Entamoeba histolytica hexokinase 1 0.1486 1 0.5
Trypanosoma cruzi hexokinase, putative 0.1486 1 1
Onchocerca volvulus 0.1486 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0214 0.1093 0.1093
Plasmodium vivax hexokinase, putative 0.1486 1 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0214 0.1093 0.1093
Loa Loa (eye worm) carbonic anhydrase 3 0.0214 0.1093 0.108
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0214 0.1093 0.1093
Echinococcus granulosus hexokinase 0.1486 1 1
Echinococcus multilocularis hexokinase type 2 0.1486 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.0297 0.0297
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0695 0.4461 0.4461
Echinococcus multilocularis carbonic anhydrase II 0.0214 0.1093 0.082
Loa Loa (eye worm) hypothetical protein 0.0473 0.2901 0.2892
Trypanosoma brucei hexokinase 0.1486 1 1
Echinococcus granulosus carbonic anhydrase II 0.0214 0.1093 0.082
Brugia malayi nuclear hormone receptor 0.0679 0.4345 0.4345
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0101 0.0297 0.0297
Plasmodium falciparum hexokinase 0.1486 1 1
Trypanosoma brucei hexokinase 0.1486 1 1
Onchocerca volvulus Hexokinase homolog 0.0933 0.6122 0.6122
Loa Loa (eye worm) hypothetical protein 0.0473 0.2901 0.2892
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0101 0.0297 0.0284
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0214 0.1093 0.108
Loa Loa (eye worm) hexokinase 0.1486 1 1
Loa Loa (eye worm) hypothetical protein 0.1014 0.6691 0.6686
Schistosoma mansoni hypothetical protein 0.0101 0.0297 0.0297
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0101 0.0297 0.0297
Loa Loa (eye worm) hexokinase 0.046 0.2813 0.2803
Echinococcus granulosus hexokinase 0.1486 1 1
Schistosoma mansoni carbonic anhydrase-related 0.0101 0.0297 0.0297
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1592 0.1334
Loa Loa (eye worm) hypothetical protein 0.0101 0.0297 0.0284
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0014 0.0014
Trypanosoma brucei hexokinase, putative 0.1486 1 1
Loa Loa (eye worm) hexokinase 0.1486 1 1
Brugia malayi hypothetical protein 0.0286 0.1592 0.1592
Loa Loa (eye worm) hexokinase 0.0933 0.6122 0.6116

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10.42 nM Inhibition of GST-tagged recombinant carbonic anhydrase-9 catalytic domain (unknown origin) ChEMBL. 23664215
IC50 (binding) = 10.58 nM Inhibition of full length carbonic anhydrase-2 in human erythrocytes ChEMBL. 23664215
IC50 (binding) = 16.73 nM Inhibition of full length carbonic anhydrase-1 in human erythrocytes ChEMBL. 23664215
Potency (functional) = 0.0282 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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