Detailed information for compound 1263895

Basic information

Technical information
  • TDR Targets ID: 1263895
  • Name: N-(2-pyrrolidin-1-ylethyl)quinoline-8-sulfona mide
  • MW: 305.395 | Formula: C15H19N3O2S
  • H donors: 1 H acceptors: 3 LogP: 1.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1cccc2c1nccc2)NCCN1CCCC1
  • InChi: 1S/C15H19N3O2S/c19-21(20,17-9-12-18-10-1-2-11-18)14-7-3-5-13-6-4-8-16-15(13)14/h3-8,17H,1-2,9-12H2
  • InChiKey: UFIOGZZRIUTCJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-1-pyrrolidinylethyl)-8-quinolinesulfonamide
  • MLS000116240
  • SMR000093217
  • ChemDiv2_005797

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase 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
Echinococcus granulosus arachidonate 5 lipoxygenase arachidonate 15-lipoxygenase 662 aa 590 aa 23.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 1 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0597 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0597 0.5
Onchocerca volvulus 0.0024 0.0651 1
Onchocerca volvulus 0.0024 0.0651 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0597 0.5
Schistosoma mansoni lipoxygenase 0.0067 0.4408 0.4018
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0597 1
Loa Loa (eye worm) TAR-binding protein 0.013 1 1
Echinococcus multilocularis tar DNA binding protein 0.013 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0597 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0597 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0597 0.0518
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0083 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0597 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0597 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0651 0.0573
Schistosoma mansoni tar DNA-binding protein 0.013 1 1
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0651 1
Schistosoma mansoni tar DNA-binding protein 0.013 1 1
Brugia malayi TAR-binding protein 0.013 1 1
Brugia malayi RNA recognition motif domain containing protein 0.013 1 1
Schistosoma mansoni tar DNA-binding protein 0.013 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0597 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0067 0.4408 0.4018
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0597 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0651 0.0573
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0597 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0597 0.0518
Schistosoma mansoni tar DNA-binding protein 0.013 1 1
Echinococcus granulosus tar DNA binding protein 0.013 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0597 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 0.0597 0.0518
Brugia malayi Doublecortin family protein 0.0024 0.0651 0.0058
Loa Loa (eye worm) RNA binding protein 0.013 1 1
Brugia malayi hypothetical protein 0.0024 0.0651 0.0058
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0067 0.4408 0.4018
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0597 0.5
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0651 0.0573
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0597 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0597 1
Brugia malayi hypothetical protein 0.0024 0.0651 0.0058
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0597 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0083 0.139
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0651 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0597 0.5
Schistosoma mansoni tar DNA-binding protein 0.013 1 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0597 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (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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