Detailed information for compound 35138

Basic information

Technical information
  • TDR Targets ID: 35138
  • Name: 1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-o ne
  • MW: 266.766 | Formula: C14H19ClN2O
  • H donors: 0 H acceptors: 1 LogP: 2.77 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)N1CCN(CC1)c1cccc(c1)Cl
  • InChi: 1S/C14H19ClN2O/c1-2-4-14(18)17-9-7-16(8-10-17)13-6-3-5-12(15)11-13/h3,5-6,11H,2,4,7-10H2,1H3
  • InChiKey: RCLBORULQAJQCF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(3-chlorophenyl)-1-piperazinyl]-1-butanone
  • 1-[4-(3-chlorophenyl)piperazino]butan-1-one
  • 1-[4-(3-chlorophenyl)-1-piperazinyl]butan-1-one
  • 141511-19-5
  • 1-(3-Chlorophenyl)-4-(1-oxobutyl)piperazine
  • 4-Butanoyle-1-(3-chlorophenyl)piperazine [French]
  • Piperazine, 1-(3-chlorophenyl)-4-(1-oxobutyl)-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0968 1 1
Schistosoma mansoni methylthioadenosine phosphorylase 0.0968 1 1
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0968 1 0.5
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0968 1 1
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0968 1 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.086 0.8264 1
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.086 0.8264 0.5
Leishmania major methylthioadenosine phosphorylase, putative 0.0968 1 0.5
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0345 0 0.5
Treponema pallidum pfs protein (pfs) 0.086 0.8264 0.5
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0968 1 0.5
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0725 0.6092 0.7371
Schistosoma mansoni methylthioadenosine phosphorylase 0.0968 1 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0345 0 0.5
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.086 0.8264 0.8264
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.086 0.8264 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.086 0.8264 1
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0968 1 0.5
Echinococcus granulosus methylthioadenosine phosphorylase 0.0968 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = -4.31 Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabelled [3H]-8-OH-DPAT ligand displacement ChEMBL. 8568799
Ki (binding) = 49000 nM In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus ChEMBL. 1535661
Ki (binding) = 49000 nM In vitro ability to displace [3H]-8-hydroxy-2-(di-n-propylamino) tetralin binding from 5-hydroxytryptamine 1A receptor site in rat brain hippocampus ChEMBL. 1535661
Log Ki (binding) = 4.31 Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabelled [3H]-8-OH-DPAT ligand displacement ChEMBL. 8568799

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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