Detailed information for compound 1310129

Basic information

Technical information
  • TDR Targets ID: 1310129
  • Name: 6-methyl-N-(3-morpholin-4-ylpropyl)naphthalen e-2-sulfonamide
  • MW: 348.46 | Formula: C18H24N2O3S
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)ccc(c2)S(=O)(=O)NCCCN1CCOCC1
  • InChi: 1S/C18H24N2O3S/c1-15-3-4-17-14-18(6-5-16(17)13-15)24(21,22)19-7-2-8-20-9-11-23-12-10-20/h3-6,13-14,19H,2,7-12H2,1H3
  • InChiKey: GJOZALFKRXAMAV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-N-(3-morpholinopropyl)naphthalene-2-sulfonamide
  • 6-methyl-N-(3-morpholinopropyl)-2-naphthalenesulfonamide
  • MLS000715878
  • SMR000277395
  • 6-Methyl-naphthalene-2-sulfonic acid (3-morpholin-4-yl-propyl)-amide
  • BAS 04999172
  • ST5276736

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Leishmania major ribonuclease H1, putative 0.0141 0.072 0.0518
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0185 0.1067 0.0872
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.005 0 0.5
Trypanosoma brucei ingi protein (ORF1) 0.0156 0.084 0.064
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0156 0.084 0.064
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0623 0.4525 0.4405
Brugia malayi RNase H family protein 0.0141 0.072 0.2189
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0226 0.1387 0.1199
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0176 0.0998 0.1219
Schistosoma mansoni hypothetical protein 0.0671 0.4906 1
Giardia lamblia DNA polymerase alpha subunit A 0.0149 0.0785 1
Loa Loa (eye worm) hypothetical protein 0.0242 0.152 0.4927
Echinococcus granulosus DNA polymerase subunit gamma 0.043 0.3001 1
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0176 0.0998 0.1219
Brugia malayi DNA polymerase I family protein 0.043 0.3001 1
Brugia malayi DNA polymerase alpha catalytic subunit 0.0143 0.0735 0.224
Plasmodium vivax DNA polymerase alpha, putative 0.0143 0.0735 0.5
Trichomonas vaginalis ribonuclease H1, putative 0.0141 0.072 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0693 0.5081 0.5
Trypanosoma brucei RNA helicase, putative 0.0671 0.4906 0.4794
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0623 0.4525 0.4405
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1316 1 1
Loa Loa (eye worm) hypothetical protein 0.043 0.3001 1
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.005 0 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0623 0.4525 0.4405
Echinococcus multilocularis hypothetical protein 0.043 0.3001 1
Trypanosoma brucei hypothetical protein, conserved 0.0156 0.084 0.064
Brugia malayi RNase H family protein 0.0141 0.072 0.2189
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0242 0.152 1
Schistosoma mansoni phosphoglucomutase 0.0141 0.072 0.1241
Trypanosoma brucei ribonuclease H1 0.0141 0.072 0.0518
Mycobacterium ulcerans hypothetical protein 0.0693 0.5081 0.5
Treponema pallidum ribonuclease H (rnhA) 0.0141 0.072 0.5
Toxoplasma gondii hypothetical protein 0.0212 0.1282 1
Trypanosoma cruzi ribonuclease H1, putative 0.0141 0.072 0.0518
Schistosoma mansoni DNA polymerase gamma 0.043 0.3001 0.6014
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0185 0.1067 0.0872
Schistosoma mansoni phosphoglucomutase 0.0141 0.072 0.1241
Trypanosoma brucei ingi protein (ORF1) 0.0156 0.084 0.064
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1316 1 1
Trypanosoma cruzi ribonuclease H1, putative 0.0141 0.072 0.0518
Schistosoma mansoni phosphoglucomutase 0.0141 0.072 0.1241
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0185 0.1067 0.0872
Trypanosoma brucei unspecified product 0.0156 0.084 0.064
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0185 0.1067 0.0872
Brugia malayi RNase H family protein 0.0141 0.072 0.2189
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0141 0.072 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.1316 1 1
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0143 0.0735 0.0266
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0176 0.0998 0.1823

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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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