Detailed information for compound 1240907

Basic information

Technical information
  • TDR Targets ID: 1240907
  • Name: (4-chlorophenyl)-[4-(2-pyridin-4-ylethyl)pipe razin-1-yl]methanone
  • MW: 329.824 | Formula: C18H20ClN3O
  • H donors: 0 H acceptors: 2 LogP: 2.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)N1CCN(CC1)CCc1ccncc1
  • InChi: 1S/C18H20ClN3O/c19-17-3-1-16(2-4-17)18(23)22-13-11-21(12-14-22)10-7-15-5-8-20-9-6-15/h1-6,8-9H,7,10-14H2
  • InChiKey: FJIJSEUXOHJXIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-chlorophenyl)-[4-[2-(4-pyridyl)ethyl]piperazin-1-yl]methanone
  • (4-chlorophenyl)-[4-[2-(4-pyridyl)ethyl]-1-piperazinyl]methanone
  • NCGC00119165-01
  • D339-0503

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.4536 0.4536
Plasmodium falciparum ornithine aminotransferase 0.0022 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0956 0.0956
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0022 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4536 0.4815
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 0.4536 0.4536
Entamoeba histolytica hypothetical protein 0.0037 0.0956 0.5
Schistosoma mansoni hypothetical protein 0.0037 0.0956 0.1014
Entamoeba histolytica hypothetical protein 0.0037 0.0956 0.5
Plasmodium vivax ornithine aminotransferase, putative 0.0022 0 0.5
Schistosoma mansoni hypothetical protein 0.017 0.9422 1
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0158 0.8674 1
Echinococcus multilocularis muscleblind protein 0.0179 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.4536 0.4536
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0956 0.0956
Echinococcus granulosus geminin 0.017 0.9422 0.9422
Schistosoma mansoni hypothetical protein 0.0041 0.1196 0.1269
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0158 0.8674 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0956 0.1014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4536 0.4815
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0093 0.4536 0.4536
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0158 0.8674 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.006 0.2414 0.1384
Mycobacterium ulcerans hypothetical protein 0.0158 0.8674 1
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0956 0.5
Loa Loa (eye worm) hypothetical protein 0.0179 1 1
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0158 0.8674 1
Entamoeba histolytica hypothetical protein 0.0037 0.0956 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2414 0.2414
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 0.4536 0.3795
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2414 0.2414
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2414 0.1384
Schistosoma mansoni hypothetical protein 0.017 0.9422 1
Mycobacterium tuberculosis Probable aminotransferase 0.0158 0.8674 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 0.4536 0.4815
Echinococcus granulosus muscleblind protein 0.0179 1 1
Echinococcus multilocularis geminin 0.017 0.9422 0.9422
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 0.4536 0.4536
Brugia malayi hypothetical protein 0.0037 0.0956 0.0956
Echinococcus multilocularis muscleblind protein 1 0.0179 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 0.8913 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 316.2278 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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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