Detailed information for compound 1324333

Basic information

Technical information
  • TDR Targets ID: 1324333
  • Name: 1-(4-piperidin-1-ylpyridin-3-yl)sulfonyl-3-pr opan-2-ylurea
  • MW: 326.414 | Formula: C14H22N4O3S
  • H donors: 2 H acceptors: 4 LogP: 1.19 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)NS(=O)(=O)c1cnccc1N1CCCCC1)C
  • InChi: 1S/C14H22N4O3S/c1-11(2)16-14(19)17-22(20,21)13-10-15-7-6-12(13)18-8-4-3-5-9-18/h6-7,10-11H,3-5,8-9H2,1-2H3,(H2,16,17,19)
  • InChiKey: UVHKYDKEGCOLTO-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-isopropyl-1-[[4-(1-piperidyl)-3-pyridyl]sulfonyl]urea
  • 3-isopropyl-1-[(4-piperidino-3-pyridyl)sulfonyl]urea
  • 1-(4-piperidin-1-ylpyridin-3-yl)sulfonyl-3-propan-2-yl-urea
  • SMR000113480
  • AJ-333/25006201
  • 3-({[(isopropylamino)carbonyl]amino}sulfonyl)-4-(1-piperidinyl)pyridine
  • MLS000549591

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504

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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0345 0.3602 0.2721
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0182 0.1467 0.0291
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0345 0.3602 0.2721
Onchocerca volvulus Protein ultraspiracle homolog 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0163 0.1211 0.3361
Brugia malayi Nuclear hormone receptor-like 1 0.0182 0.1467 0.4072
Brugia malayi nuclear receptor NHR-88 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0182 0.1467 0.4072
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor-like 1 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi steroid hormone receptor 0.0345 0.3602 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0345 0.3602 0.2721
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0182 0.1467 0.4072
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Schistosoma mansoni coup transcription factor 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0182 0.1467 0.4072
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0345 0.3602 0.2721
Onchocerca volvulus 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0182 0.1467 0.0291
Brugia malayi hypothetical protein 0.0163 0.1211 0.3361
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Schistosoma mansoni retinoic acid receptor RXR 0.0345 0.3602 0.2721
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor-like 1 0.0182 0.1467 0.4072
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Echinococcus multilocularis FTZ F1 alpha 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0345 0.3602 0.2721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0345 0.3602 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi photoreceptor-specific nuclear receptor 0.0345 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0345 0.3602 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0163 0.1211 0.3361
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0345 0.3602 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0345 0.3602 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0182 0.1467 0.4072
Brugia malayi nuclear receptor NHR-88 0.0345 0.3602 1
Brugia malayi nuclear receptor RXR 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0345 0.3602 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0182 0.1467 0.0291
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0182 0.1467 0.4072
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0345 0.3602 1
Echinococcus granulosus FTZ F1 alpha 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor E75 0.0163 0.1211 0.3361
Echinococcus multilocularis ecdysone induced protein 78C 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor E75 0.0163 0.1211 0.3361
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Brugia malayi nuclear receptor NHR-67 0.0163 0.1211 0.3361
Echinococcus granulosus ecdysone induced protein 78C 0.0345 0.3602 0.2721
Brugia malayi orphan nuclear receptor NR2E1 0.0163 0.1211 0.3361
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0345 0.3602 1
Brugia malayi hypothetical protein 0.0182 0.1467 0.4072
Loa Loa (eye worm) hypothetical protein 0.0182 0.1467 0.4072
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0345 0.3602 1
Brugia malayi nuclear hormone receptor 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0345 0.3602 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0163 0.1211 0.3361
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0345 0.3602 0.2721
Loa Loa (eye worm) nuclear hormone receptor 0.0163 0.1211 0.3361
Schistosoma mansoni nuclear hormone receptor 0.0345 0.3602 0.2721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0345 0.3602 1
Brugia malayi ecdysteroid receptor 0.0345 0.3602 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0345 0.3602 0.2721
Schistosoma mansoni thyroid hormone receptor 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Onchocerca volvulus Bile acid receptor homolog 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0345 0.3602 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0345 0.3602 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Loa Loa (eye worm) nuclear receptor NHR-67 0.0163 0.1211 0.3361
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0345 0.3602 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0345 0.3602 0.2721
Brugia malayi nuclear hormone receptor 0.0163 0.1211 0.3361
Schistosoma mansoni thyroid hormone receptor 0.0345 0.3602 0.2721
Schistosoma mansoni RAR-like nuclear receptor 0.0345 0.3602 0.2721
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0345 0.3602 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0345 0.3602 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0345 0.3602 1
Brugia malayi Steroid receptor seven-up type 2 0.0345 0.3602 1
Loa Loa (eye worm) DR-78 0.0163 0.1211 0.3361
Loa Loa (eye worm) hypothetical protein 0.0345 0.3602 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0345 0.3602 0.2721
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0345 0.3602 0.2721
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0345 0.3602 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi nuclear receptor RXR 0.0182 0.1467 0.4072
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0345 0.3602 0.2721
Loa Loa (eye worm) hypothetical protein 0.0163 0.1211 0.3361
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0345 0.3602 1
Loa Loa (eye worm) steroid hormone receptor 0.0345 0.3602 1
Brugia malayi ecdysone receptor 0.0163 0.1211 0.3361
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0345 0.3602 0.2721
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0182 0.1467 0.0291
Brugia malayi tailless protein 0.0163 0.1211 0.3361
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0345 0.3602 0.2721
Brugia malayi hypothetical protein 0.0182 0.1467 0.4072
Brugia malayi conserved hypotetical protein 0.0163 0.1211 0.3361

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (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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