Detailed information for compound 737802

Basic information

Technical information
  • TDR Targets ID: 737802
  • Name: N-[2-(morpholine-4-carbonyl)phenyl]-2-nitrobe nzenesulfonamide
  • MW: 391.398 | Formula: C17H17N3O6S
  • H donors: 1 H acceptors: 5 LogP: 1.91 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1
  • InChi: 1S/C17H17N3O6S/c21-17(19-9-11-26-12-10-19)13-5-1-2-6-14(13)18-27(24,25)16-8-4-3-7-15(16)20(22)23/h1-8,18H,9-12H2
  • InChiKey: NGLXYSSAAZZRIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(morpholine-4-carbonyl)phenyl]-2-nitro-benzenesulfonamide
  • N-[2-(morpholino-oxomethyl)phenyl]-2-nitrobenzenesulfonamide
  • N-(2-morpholin-4-ylcarbonylphenyl)-2-nitro-benzenesulfonamide
  • N-[2-(4-morpholinylcarbonyl)phenyl]-2-nitrobenzenesulfonamide
  • SMR000200022
  • ZINC01122015
  • MLS000581402

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
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
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0618 0.0667
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Schistosoma mansoni bromodomain containing protein 0.0076 0.7978 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0947 0.1287
Loa Loa (eye worm) hypothetical protein 0.0046 0.3679 0.3972
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3258 0.4427
Schistosoma mansoni hypothetical protein 0.0025 0.0618 0.0774
Schistosoma mansoni zinc finger protein 0.0024 0.0435 0.0546
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0106 0.0114
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.736 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0435 0.0592
Loa Loa (eye worm) hypothetical protein 0.0052 0.4417 0.4769
Loa Loa (eye worm) hypothetical protein 0.0049 0.4087 0.4413
Brugia malayi Bromodomain containing protein 0.0046 0.3667 0.2673
Loa Loa (eye worm) hypothetical protein 0.0085 0.9262 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0947 0.1188
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0947 0.1287
Echinococcus granulosus zinc finger protein 0.0024 0.0435 0.0592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.736 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.2818 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) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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