Detailed information for compound 77918

Basic information

Technical information
  • TDR Targets ID: 77918
  • Name: 6-(4-methoxyphenyl)sulfonyl-5-nitroquinolin-8 -amine
  • MW: 359.357 | Formula: C16H13N3O5S
  • H donors: 1 H acceptors: 5 LogP: 2.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)S(=O)(=O)c1cc(N)c2c(c1[N+](=O)[O-])cccn2
  • InChi: 1S/C16H13N3O5S/c1-24-10-4-6-11(7-5-10)25(22,23)14-9-13(17)15-12(3-2-8-18-15)16(14)19(20)21/h2-9H,17H2,1H3
  • InChiKey: PTQHZBGUEFMKCF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(4-methoxyphenyl)sulfonyl-5-nitro-quinolin-8-amine
  • 6-(4-methoxyphenyl)sulfonyl-5-nitro-8-quinolinamine
  • [6-(4-methoxyphenyl)sulfonyl-5-nitro-8-quinolyl]amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens neuropeptide Y receptor Y1 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
Brugia malayi follicle stimulating hormone receptor neuropeptide Y receptor Y1 384 aa 345 aa 22.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis glutamate receptor ionotropic kainate 0.012 0.2456 0.2154
Brugia malayi Excitatory amino acid transporter 0.0126 0.2632 0.5203
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0155 0.357 0.8875
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0126 0.2632 0.2337
Echinococcus granulosus neutral amino acid transporter 0.0126 0.2632 0.2186
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.2632 0.2186
Echinococcus multilocularis glutamate receptor 2 0.0061 0.0571 0.0194
Echinococcus granulosus glutamate receptor 2 0.0089 0.1463 0.0946
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0355 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0891 0.1055
Treponema pallidum glutamate transporter 0.0056 0.0384 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2632 0.2337
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2632 0.2337
Schistosoma mansoni glutamate receptor kainate 0.0075 0.1005 0.173
Schistosoma mansoni serine-rich repeat protein 0.0083 0.1274 0.2478
Echinococcus granulosus glutamate receptor ionotropic kainate 3 0.012 0.2456 0.1999
Echinococcus multilocularis glutamate receptor 2 0.0089 0.1463 0.1122
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4432 0.4209
Brugia malayi hypothetical protein 0.0118 0.2375 0.4696
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.2632 0.2186
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0161 0.3782 0.3534
Echinococcus multilocularis neutral amino acid transporter A 0.0126 0.2632 0.2337
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.1005 0.173
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4432 0.4095
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.2632 0.2337
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0089 0.1463 0.1122
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.2632 0.2337
Echinococcus multilocularis excitatory amino acid transporter 3 0.0126 0.2632 0.2337
Schistosoma mansoni glutamate receptor NMDA 0.0075 0.1005 0.173
Brugia malayi Glutamate receptor 2 precursor 0.0075 0.1005 0.1988
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4432 0.4209
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0089 0.1463 0.0946
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4432 0.4095
Echinococcus granulosus excitatory amino acid transporter 2 0.0126 0.2632 0.2186
Brugia malayi Pre-SET motif family protein 0.0201 0.5059 1
Echinococcus granulosus voltage dependent calcium channel subunit 0.0161 0.3782 0.3406
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0201 0.5059 0.5988
Schistosoma mansoni hypothetical protein 0.0083 0.1274 0.2478
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0126 0.2632 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0182 0.4432 0.4095
Echinococcus multilocularis Excitatory amino acid transporter 0.0126 0.2632 0.2337
Schistosoma mansoni glutamate receptor kainate 0.0167 0.3974 1
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0078 0.1103 0.2002
Chlamydia trachomatis glutamate symporter 0.0126 0.2632 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0126 0.2632 0.2337
Echinococcus granulosus sodium:dicarboxylate symporter 0.0126 0.2632 0.2186
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0075 0.1005 0.0646
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.2632 0.2186
Echinococcus granulosus glutamate receptor ionotropic kainate 0.012 0.2456 0.1999
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0126 0.2632 0.2337
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0126 0.2632 0.6261
Echinococcus granulosus glutamate NMDA receptor subunit 0.0075 0.1005 0.0461
Echinococcus multilocularis NMDA receptor 0.012 0.2456 0.2154
Schistosoma mansoni glutamate receptor kainate 0.0167 0.3974 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0182 0.4432 0.4209
Loa Loa (eye worm) glutamate receptor 1 0.0075 0.1005 0.119
Trichomonas vaginalis set domain proteins, putative 0.0229 0.5952 0.5
Onchocerca volvulus 0.0229 0.5952 1
Echinococcus granulosus Excitatory amino acid transporter 0.0126 0.2632 0.2186
Schistosoma mansoni glutamate receptor NMDA 0.0089 0.1463 0.3004
Echinococcus multilocularis glutamate receptor 2 0.0075 0.1005 0.0646
Loa Loa (eye worm) hypothetical protein 0.0306 0.8448 1
Brugia malayi Cache domain containing protein 0.0071 0.0891 0.1762
Schistosoma mansoni glutamate receptor AMPA 0.0075 0.1005 0.173
Treponema pallidum glutamate/aspartate transporter 0.0056 0.0384 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.012 0.2456 0.2154
Brugia malayi Glutamate receptor 1 precursor 0.0075 0.1005 0.1988
Echinococcus granulosus neutral amino acid transporter A 0.0126 0.2632 0.2186
Echinococcus granulosus excitatory amino acid transporter 3 0.0126 0.2632 0.2186
Schistosoma mansoni ATP-binding cassette transporter 0.0075 0.1005 0.173
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0126 0.2632 0.5
Loa Loa (eye worm) excitatory amino acid transporter 0.0126 0.2632 0.3116
Loa Loa (eye worm) glutamate receptor 2 0.0075 0.1005 0.119

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1135 nM Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand ChEMBL. No reference
Ki (binding) = 1135 nM Compound was tested for binding affinity against neuropeptide Y1 (NPY1) receptor from SK-N-MC membranes using [125I]-PYY as radioligand 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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