Detailed information for compound 74130

Basic information

Technical information
  • TDR Targets ID: 74130
  • Name: 2-piperidin-1-ylethyl N-(3-chlorophenyl)carba mate
  • MW: 282.766 | Formula: C14H19ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 3.01 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc(c1)Cl)OCCN1CCCCC1
  • InChi: 1S/C14H19ClN2O2/c15-12-5-4-6-13(11-12)16-14(18)19-10-9-17-7-2-1-3-8-17/h4-6,11H,1-3,7-10H2,(H,16,18)
  • InChiKey: FOLXVTGCYNUNST-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-piperidyl)ethyl N-(3-chlorophenyl)carbamate
  • N-(3-chlorophenyl)carbamic acid 2-(1-piperidyl)ethyl ester
  • N-(3-chlorophenyl)carbamic acid 2-piperidinoethyl ester

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Serotonin 4 (5-HT4) receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Get druggable targets OG5_133042 All targets in OG5_133042

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus thyrotropin releasing hormone receptor Serotonin 4 (5-HT4) receptor   406 aa 351 aa 22.2 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 386 aa 22.8 %
Schistosoma japonicum ko:K04209 neuropeptide Y receptor, invertebrate, putative Serotonin 4 (5-HT4) receptor   406 aa 407 aa 25.1 %
Onchocerca volvulus Phospholipase d-related homolog Serotonin 4 (5-HT4) receptor   406 aa 389 aa 19.3 %
Brugia malayi Serotonin/octopamine receptor family protein 7 Serotonin 4 (5-HT4) receptor   406 aa 390 aa 27.9 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 387 aa 30.5 %
Schistosoma japonicum ko:K04135 adrenergic receptor, alpha 1a, putative Serotonin 4 (5-HT4) receptor   406 aa 384 aa 33.3 %
Echinococcus multilocularis thyrotropin releasing hormone receptor Serotonin 4 (5-HT4) receptor   406 aa 352 aa 21.3 %
Onchocerca volvulus Mitochondrial inner membrane protein homolog Serotonin 4 (5-HT4) receptor   406 aa 348 aa 30.7 %
Loa Loa (eye worm) hypothetical protein Serotonin 4 (5-HT4) receptor   406 aa 384 aa 22.4 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 336 aa 24.1 %
Schistosoma mansoni biogenic amine (5HT) receptor Serotonin 4 (5-HT4) receptor   406 aa 385 aa 31.7 %
Echinococcus granulosus orexin receptor type 2 Serotonin 4 (5-HT4) receptor   406 aa 445 aa 22.2 %
Echinococcus granulosus allatostatin A receptor Serotonin 4 (5-HT4) receptor   406 aa 345 aa 25.2 %
Echinococcus multilocularis orexin receptor type 2 Serotonin 4 (5-HT4) receptor   406 aa 445 aa 22.2 %
Echinococcus multilocularis allatostatin A receptor Serotonin 4 (5-HT4) receptor   406 aa 331 aa 26.0 %
Onchocerca volvulus Serotonin 4 (5-HT4) receptor   406 aa 346 aa 23.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0094 1 1
Loa Loa (eye worm) calcium channel 0.0094 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0094 1 1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0057 0.3198 0.5
Echinococcus granulosus voltage dependent calcium channel 0.0094 1 1
Echinococcus multilocularis amyloid beta A4 protein 0.0067 0.5046 0.5046
Echinococcus granulosus amyloid beta A4 protein 0.0067 0.5046 0.5046
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0094 1 1
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0094 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0094 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0094 1 1
Brugia malayi hypothetical protein 0.0065 0.456 0.1316
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0094 1 1
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0094 1 1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0094 1 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0094 1 1
Loa Loa (eye worm) X11 protein 0.0067 0.5046 0.0893
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0057 0.3198 0.5
Loa Loa (eye worm) hypothetical protein 0.0094 1 1
Echinococcus multilocularis voltage dependent calcium channel 0.0094 1 1
Schistosoma mansoni voltage-gated cation channel 0.0094 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 1000 nM Agonist activity was assessed as the concentration which gave a 50% increase in the response to electrical stimulation in the guinea pig ileum ChEMBL. 9171886
IC50 (functional) > 1000 nM Antagonist activity was calculated as the concentration which produced a 50% reduction in the submaximal of 5-HT induced contractions guinea pig ileum ChEMBL. 9171886
Ki (binding) = 60.8 nM Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement. ChEMBL. 9171886
Ki (binding) = 60.8 nM Binding affinity at 5-hydroxytryptamine 4 receptor in rat striatal membranes by [3H]-GR 113808 displacement. ChEMBL. 9171886

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.