Detailed information for compound 1067475

Basic information

Technical information
  • TDR Targets ID: 1067475
  • Name: (Z)-N-(propylsulfamoyl)octadec-9-en-1-amine
  • MW: 388.651 | Formula: C21H44N2O2S
  • H donors: 2 H acceptors: 2 LogP: 7.85 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCCC/C=C\CCCCCCCCNS(=O)(=O)NCCC
  • InChi: 1S/C21H44N2O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23-26(24,25)22-20-4-2/h11-12,22-23H,3-10,13-21H2,1-2H3/b12-11-
  • InChiKey: HJFRMCVRAXAGLS-QXMHVHEDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [(Z)-octadec-9-enyl]-(propylsulfamoyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References
Rattus norvegicus Cannabinoid CB1 receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum glutamate transporter 0.0194 0.3943 0.5
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0194 0.3943 0.3943
Echinococcus granulosus neutral amino acid transporter A 0.0438 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0123 0.218 0.1616
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0673 0.5
Brugia malayi Protein kinase domain containing protein 0.015 0.2841 0.0845
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0438 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.027 0.5845 0.5545
Echinococcus multilocularis excitatory amino acid transporter 3 0.0438 1 1
Treponema pallidum glutamate/aspartate transporter 0.0194 0.3943 0.5
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0194 0.3943 0.3506
Echinococcus multilocularis epidermal growth factor receptor 0.0123 0.218 0.218
Loa Loa (eye worm) hypothetical protein 0.0147 0.2787 0.0776
Echinococcus granulosus excitatory amino acid transporter 2 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0673 0.0673
Echinococcus granulosus Excitatory amino acid transporter 0.0438 1 1
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1
Echinococcus multilocularis Excitatory amino acid transporter 0.0438 1 1
Echinococcus granulosus insulin growth factor 1 receptor beta 0.027 0.5845 0.5545
Schistosoma mansoni tyrosine kinase 0.0123 0.218 0.1616
Echinococcus granulosus insulin receptor 0.027 0.5845 0.5545
Echinococcus granulosus Excitatory amino acid transporter 0.0438 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0438 1 1
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0438 1 1
Brugia malayi Protein kinase domain containing protein 0.027 0.5845 0.4687
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0673 0.5
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.027 0.5845 0.5545
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.027 0.5845 0.4687
Echinococcus multilocularis excitatory amino acid transporter 2 0.0438 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0123 0.218 0.218
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0194 0.3943 0.3506
Echinococcus granulosus neutral amino acid transporter 0.0438 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0438 1 0.5
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0438 1 0.5
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0194 0.3943 0.3943
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0438 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0422 0.9625 0.9598
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0123 0.218 0.1616
Echinococcus granulosus epidermal growth factor receptor 0.0123 0.218 0.1616
Echinococcus multilocularis excitatory amino acid transporter 2 0.0438 1 1
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.027 0.5845 0.5845
Loa Loa (eye worm) excitatory amino acid transporter 0.0438 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0673 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0438 1 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0438 1 1
Schistosoma mansoni tyrosine kinase 0.0121 0.2126 0.1558
Echinococcus granulosus neutral amino acid transporter A 0.0438 1 1
Echinococcus multilocularis insulin receptor 0.027 0.5845 0.5845
Chlamydia trachomatis glutamate symporter 0.0438 1 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.0438 1 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 96.5 % Inhibition of FAAH in rat brain homogenates assessed as membrane bound [3H]anandamide level at 1 uM relative to control ChEMBL. 19762126
Activity (binding) = 101.1 % Inhibition of FAAH in rat brain homogenates assessed as membrane bound [3H]anandamide level at 0.1 uM relative to control ChEMBL. 19762126
EC50 (binding) = 11 uM Activation of human PPARalpha by GST pull down assay ChEMBL. 17228882
Inhibition (functional) Agonist activity at CB1 receptor in CD1 mouse vas deferens assessed as inhibition of electrically-evoked contraction at 0.01 to 1 nM after 15 mins ChEMBL. 19762126
Ki (binding) > 10000 nM Displacement of [3H]SR141716A from CB1 receptor in rat cerebellar membrane after 90 mins by scintillation counting ChEMBL. 19762126

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

2 literature references were collected for this gene.

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