Detailed information for compound 630306

Basic information

Technical information
  • TDR Targets ID: 630306
  • Name: N-(2,5-dichlorophenyl)-2-(methylsulfonyl-phen ylamino)acetamide
  • MW: 373.254 | Formula: C15H14Cl2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)C)c1ccccc1)Nc1cc(Cl)ccc1Cl
  • InChi: 1S/C15H14Cl2N2O3S/c1-23(21,22)19(12-5-3-2-4-6-12)10-15(20)18-14-9-11(16)7-8-13(14)17/h2-9H,10H2,1H3,(H,18,20)
  • InChiKey: VMOWKSMOSLOKOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dichlorophenyl)-2-(methylsulfonyl-phenyl-amino)acetamide
  • N-(2,5-dichlorophenyl)-2-(mesyl-phenyl-amino)acetamide
  • N-(2,5-dichlorophenyl)-2-(methylsulfonyl-phenyl-amino)ethanamide
  • BAS 01208930
  • N-(2,5-Dichloro-phenyl)-2-(methanesulfonyl-phenyl-amino)-acetamide
  • MLS000123047
  • SMR000123683

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0042 0.0094
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.1992
Entamoeba histolytica hypothetical protein 0.0073 0.1791 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0917 0.5
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0917 0.5
Echinococcus granulosus lamin 0.0026 0.0405 0.0405
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1791 0.1542
Entamoeba histolytica hypothetical protein 0.0073 0.1791 1
Brugia malayi Muscleblind-like protein 0.0162 0.4435 1
Onchocerca volvulus 0.0043 0.0917 1
Leishmania major hypothetical protein, conserved 0.005 0.1122 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0295 0.0295
Onchocerca volvulus 0.0043 0.0917 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.4435 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1791 0.1791
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.1088 0.1088
Schistosoma mansoni intermediate filament proteins 0.0026 0.0405 0.0113
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.372 0.8389
Echinococcus granulosus tar DNA binding protein 0.0138 0.372 0.372
Echinococcus granulosus GPCR family 2 0.0049 0.1088 0.1088
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.064
Brugia malayi RNA binding protein 0.0138 0.372 0.8374
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.1122 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1 0.1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.094 0.094
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.3976 0.3976
Loa Loa (eye worm) beta-lactamase 0.0043 0.0917 0.2067
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.3312 0.7469
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.4102 0.3922
Echinococcus granulosus intermediate filament protein 0.0026 0.0405 0.0405
Schistosoma mansoni hypothetical protein 0.0049 0.1088 0.0817
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.1122 1
Schistosoma mansoni hypothetical protein 0.0106 0.2789 0.2569
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.4254 0.9589
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0295 0.0295
Entamoeba histolytica hypothetical protein 0.0073 0.1791 1
Schistosoma mansoni hypothetical protein 0.0049 0.1088 0.0817
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1122 1
Loa Loa (eye worm) hypothetical protein 0.0162 0.4435 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1 0.0726
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.1 0.2182
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7891 1
Echinococcus multilocularis tar DNA binding protein 0.0138 0.372 0.372
Loa Loa (eye worm) hypothetical protein 0.0026 0.0405 0.0913
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1 0.0726
Schistosoma mansoni tar DNA-binding protein 0.0138 0.372 0.3529
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1 0.1
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.2789 0.6253
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.083 0.5
Loa Loa (eye worm) hypothetical protein 0.005 0.1122 0.253
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.4254 0.9589
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0405 0.0827
Mycobacterium leprae Probable lipase LipE 0.0043 0.0917 0.5
Loa Loa (eye worm) RNA binding protein 0.0138 0.372 0.8389
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.094 0.1126
Schistosoma mansoni hypothetical protein 0.0049 0.1088 0.0817
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0917 0.2067
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.094 0.1126
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1791 0.1791
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.1122 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.039 0.088
Schistosoma mansoni hypothetical protein 0.0049 0.1088 0.0817
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1122 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Schistosoma mansoni tar DNA-binding protein 0.0138 0.372 0.3529
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Schistosoma mansoni lamin 0.0026 0.0405 0.0113
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.1088 0.1088
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.094 1
Onchocerca volvulus 0.0043 0.0917 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.2789 0.6288
Loa Loa (eye worm) acetyltransferase 0.015 0.4102 0.925
Echinococcus granulosus muscleblind protein 0.0162 0.4435 0.4435
Brugia malayi beta-lactamase family protein 0.0043 0.0917 0.1992
Schistosoma mansoni tar DNA-binding protein 0.0138 0.372 0.3529
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0405 0.0913
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.1088 0.1088
Echinococcus multilocularis geminin 0.0349 1 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0917 0.5
Echinococcus granulosus lamin dm0 0.0026 0.0405 0.0405
Schistosoma mansoni hypothetical protein 0.0349 1 1
Brugia malayi intermediate filament protein 0.0026 0.0405 0.0827
Brugia malayi hypothetical protein 0.005 0.1122 0.246
Mycobacterium ulcerans hypothetical protein 0.0043 0.0917 0.5
Echinococcus multilocularis lamin dm0 0.0026 0.0405 0.0405
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.094 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.372 0.3529
Loa Loa (eye worm) hypothetical protein 0.0049 0.1088 0.2453
Schistosoma mansoni hypothetical protein 0.0349 1 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0917 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0917 0.064
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.372 0.8374
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0917 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.1122 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.372 0.3529
Brugia malayi TAR-binding protein 0.0138 0.372 0.8374
Brugia malayi hypothetical protein 0.0073 0.1791 0.3983
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0156 0.4254 0.9593
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0405 0.0913
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.1088 0.2382
Schistosoma mansoni hypothetical protein 0.0073 0.1791 0.1542
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0917 0.0917
Loa Loa (eye worm) hypothetical protein 0.0043 0.0917 0.2067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.1088 0.2453
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.3312 0.7469
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.4102 0.9243
Brugia malayi Latrophilin receptor protein 2 0.0049 0.1088 0.2382
Echinococcus multilocularis muscleblind protein 0.0162 0.4435 0.4435
Echinococcus multilocularis GPCR, family 2 0.0049 0.1088 0.1088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.1 0.1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.4102 0.4102
Echinococcus multilocularis lamin 0.0026 0.0405 0.0405
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.1 0.1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0917 0.1992
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.1 0.0726
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.1 0.2255
Brugia malayi MH2 domain containing protein 0.0124 0.3312 0.7445
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.1088 0.1088
Brugia malayi beta-lactamase 0.0043 0.0917 0.1992
Loa Loa (eye worm) TAR-binding protein 0.0138 0.372 0.8389
Brugia malayi hypothetical protein 0.0033 0.0591 0.125
Echinococcus multilocularis muscleblind protein 1 0.0162 0.4435 0.4435
Entamoeba histolytica hypothetical protein 0.0073 0.1791 1
Schistosoma mansoni lamin 0.0026 0.0405 0.0113
Echinococcus multilocularis musashi 0.0026 0.0405 0.0405
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.4254 0.9593
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.094 0.1126
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.1122 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9526 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 (binding) = 35.4813 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] 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

No literature references available for this target.

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