Detailed information for compound 1158400

Basic information

Technical information
  • TDR Targets ID: 1158400
  • Name: 4-[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl ]-3-oxopiperazine-1-carbonyl]benzonitrile
  • MW: 458.552 | Formula: C27H30N4O3
  • H donors: 0 H acceptors: 3 LogP: 3.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C(=O)N1CCN(C(=O)C1)c1ccc(cc1)OC1CCN(CC1)C1CCC1
  • InChi: 1S/C27H30N4O3/c28-18-20-4-6-21(7-5-20)27(33)30-16-17-31(26(32)19-30)23-8-10-24(11-9-23)34-25-12-14-29(15-13-25)22-2-1-3-22/h4-11,22,25H,1-3,12-17,19H2
  • InChiKey: IFFOAHBQMKKYRJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-oxo-piperazine-1-carbonyl]benzonitrile
  • 4-[[4-[4-[(1-cyclobutyl-4-piperidinyl)oxy]phenyl]-3-oxo-1-piperazinyl]-oxomethyl]benzonitrile
  • 4-[4-[4-[(1-cyclobutyl-4-piperidyl)oxy]phenyl]-3-keto-piperazine-1-carbonyl]benzonitrile
  • 4-[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-oxo-piperazin-1-yl]carbonylbenzonitrile

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 guanine nucleotide binding protein G(s) subunit 0.0231 0.4529 0.6712
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0074 0.0963 0.1124
Brugia malayi beta-lactamase family protein 0.0074 0.0963 0.1124
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0963 0.1309
Onchocerca volvulus 0.0059 0.0617 0.0626
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Trypanosoma cruzi hypothetical protein, conserved 0.0074 0.0963 0.1309
Schistosoma mansoni hypothetical protein 0.0257 0.5124 0.8777
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.5912 1
Brugia malayi Pre-SET motif family protein 0.0409 0.8567 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0074 0.0963 0.1427
Trichomonas vaginalis set domain proteins, putative 0.0466 0.9849 1
Echinococcus granulosus tumor protein p63 0.0329 0.6747 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0617 0.1057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0231 0.4529 0.5287
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.2776 0.2006
Brugia malayi beta-lactamase 0.0074 0.0963 0.1124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.4529 0.6712
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.5912 1
Onchocerca volvulus 0.0466 0.9849 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0057 0.0568 0.0842
Loa Loa (eye worm) hypothetical protein 0.0059 0.0617 0.072
Mycobacterium ulcerans hypothetical protein 0.0154 0.2776 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.2422 0.2948
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.4529 0.7758
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.2422 0.3871
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0257 0.5124 0.7594
Trypanosoma brucei hypothetical protein, conserved 0.0074 0.0963 0.1309
Echinococcus multilocularis thyroid hormone receptor alpha 0.0289 0.5838 0.8653
Onchocerca volvulus 0.0074 0.0963 0.0978
Entamoeba histolytica hypothetical protein 0.0035 0.009 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.009 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.4529 0.7758
Onchocerca volvulus 0.0074 0.0963 0.0978
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0074 0.0963 0.1124
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0231 0.4529 0.6712
Echinococcus granulosus histone lysine methyltransferase setb 0.0059 0.0617 0.0914
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0617 0.1057
Onchocerca volvulus 0.0074 0.0963 0.0978
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.5912 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0617 0.1057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0963 0.1649
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0617 0.4316
Mycobacterium leprae conserved hypothetical protein 0.0074 0.0963 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Schistosoma mansoni thyroid hormone receptor 0.0289 0.5838 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0617 0.1057
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.217 0.2533
Entamoeba histolytica hypothetical protein 0.0035 0.009 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0231 0.4529 0.6712
Loa Loa (eye worm) hypothetical protein 0.0048 0.0378 0.0441
Brugia malayi MH2 domain containing protein 0.0127 0.217 0.2533
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0421 0.0358
Brugia malayi hypothetical protein 0.0035 0.009 0.0106
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.5912 1
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0378 0.0647
Onchocerca volvulus 0.0048 0.0378 0.0384
Entamoeba histolytica hypothetical protein 0.0035 0.009 0.5
Toxoplasma gondii ABC1 family protein 0.0074 0.0963 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0231 0.4529 0.7758
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0409 0.8567 1
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.217 0.2533
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0257 0.5124 0.7594
Entamoeba histolytica hypothetical protein 0.0035 0.009 0.5
Loa Loa (eye worm) hypothetical protein 0.0074 0.0963 0.1124
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0617 0.0914
Plasmodium vivax hypothetical protein, conserved 0.0074 0.0963 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0059 0.0617 0.0914
Echinococcus multilocularis beta LACTamase domain containing family member 0.0074 0.0963 0.1427
Brugia malayi beta-lactamase family protein 0.0074 0.0963 0.1124
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0231 0.4529 0.5287
Schistosoma mansoni thyroid hormone receptor 0.0289 0.5838 1
Schistosoma mansoni hypothetical protein 0.0035 0.009 0.0155
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0074 0.0963 0.1649
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.2422 0.3871
Brugia malayi Pre-SET motif family protein 0.0059 0.0617 0.072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.009 0.0134
Echinococcus multilocularis tumor protein p63 0.0329 0.6747 1
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.009 0.0155
Loa Loa (eye worm) beta-lactamase 0.0074 0.0963 0.1124
Mycobacterium leprae Probable lipase LipE 0.0074 0.0963 0.5

Activities

No activities found for this compound.

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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