Detailed information for compound 1482517

Basic information

Technical information
  • TDR Targets ID: 1482517
  • Name: N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]c yclobutanecarboxamide
  • MW: 306.83 | Formula: C17H23ClN2O
  • H donors: 1 H acceptors: 1 LogP: 3.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCC1)NC1CCCN(C1)Cc1ccc(cc1)Cl
  • InChi: 1S/C17H23ClN2O/c18-15-8-6-13(7-9-15)11-20-10-2-5-16(12-20)19-17(21)14-3-1-4-14/h6-9,14,16H,1-5,10-12H2,(H,19,21)
  • InChiKey: VKJVRGSPNHEWOJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-[(4-chlorophenyl)methyl]-3-piperidyl]cyclobutanecarboxamide
  • N-[1-[(4-chlorophenyl)methyl]-3-piperidinyl]cyclobutanecarboxamide
  • N-[1-(4-chlorobenzyl)-3-piperidyl]cyclobutanecarboxamide
  • N-[1-(4-chlorobenzyl)piperidin-3-yl]cyclobutanecarboxamide
  • SMR000495749
  • MLS001000533

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus transient receptor potential cation channel, subfamily C, member 4 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Transient receptor potential-gamma protein, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus TRP transient receptor potential channel Get druggable targets OG5_128782 All targets in OG5_128782
Brugia malayi Transient-receptor-potential like protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum Short transient receptor potential channel 5, putative Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus granulosus transient receptor potential gamma protein Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma mansoni transient receptor potential channel 4 Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis transient receptor potential ion channel A Get druggable targets OG5_128782 All targets in OG5_128782
Echinococcus multilocularis TRP (transient receptor potential) channel Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
Schistosoma japonicum ko:K05328 transient receptor potential cation channel, subfamily C,, putative Get druggable targets OG5_128782 All targets in OG5_128782
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis short transient receptor potential channel 6 transient receptor potential cation channel, subfamily C, member 4 890 aa 799 aa 31.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi UDP-galactopyranose mutase 0.0304 0.103 0.5
Plasmodium vivax hypothetical protein, conserved 0.0304 0.103 0.5
Echinococcus multilocularis 0.0304 0.103 0.1015
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0304 0.103 0.1015
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1
Leishmania major UDP-galactopyranose mutase 0.0304 0.103 0.5
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1
Plasmodium vivax hypothetical protein, conserved 0.0304 0.103 0.5
Schistosoma mansoni amine oxidase 0.0304 0.103 0.1015
Schistosoma mansoni transient receptor potential channel 0.0117 0.0195 0.0178
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0304 0.103 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0304 0.103 0.5
Plasmodium falciparum protoporphyrinogen oxidase 0.0304 0.103 0.5
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0304 0.103 0.1015
Echinococcus granulosus protoporphyrinogen oxidase 0.2009 0.8641 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.0195 0.0178
Toxoplasma gondii histone lysine-specific demethylase 0.0304 0.103 0.5
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.0195 0.0178
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1
Brugia malayi SWIRM domain containing protein 0.0304 0.103 0.5
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0304 0.103 0.5
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.2313 1 0.5
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.0195 0.0205
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.0177 0.0185
Brugia malayi amine oxidase, flavin-containing family protein 0.0304 0.103 0.5
Brugia malayi hypothetical protein 0.0304 0.103 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0304 0.103 0.5
Mycobacterium ulcerans protoporphyrinogen oxidase 0.2313 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0195 0.1889
Schistosoma mansoni amine oxidase 0.0304 0.103 0.1015
Trypanosoma cruzi UDP-galactopyranose mutase 0.0304 0.103 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.2313 1 1
Mycobacterium tuberculosis Probable protoporphyrinogen oxidase HemY (protoporphyrinogen-IX oxidase) (protoporphyrinogenase) (PPO) 0.2009 0.8641 1
Echinococcus granulosus lysine specific histone demethylase 1A 0.0304 0.103 0.1175
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.2313 1 1
Onchocerca volvulus 0.0304 0.103 0.5
Echinococcus granulosus lysine specific histone demethylase 1A 0.0304 0.103 0.1175
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.0177 0.016
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0304 0.103 0.5
Loa Loa (eye worm) hypothetical protein 0.0304 0.103 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 1.3333 uM PUBCHEM_BIOASSAY: Confirmation dose response assay for compounds that activate transient receptor potential cation channel C4 (TRPC4). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2237, AID2259] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 79.4328 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.

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