Detailed information for compound 1468826

Basic information

Technical information
  • TDR Targets ID: 1468826
  • Name: 2-[3-[4-(phenylmethyl)piperidin-1-yl]propoxy] benzonitrile
  • MW: 334.455 | Formula: C22H26N2O
  • H donors: 0 H acceptors: 1 LogP: 4.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccccc1OCCCN1CCC(CC1)Cc1ccccc1
  • InChi: 1S/C22H26N2O/c23-18-21-9-4-5-10-22(21)25-16-6-13-24-14-11-20(12-15-24)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-17H2
  • InChiKey: AGIJYYOJJDOYET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-[4-(phenylmethyl)-1-piperidyl]propoxy]benzonitrile
  • 2-[3-[4-(phenylmethyl)-1-piperidinyl]propoxy]benzonitrile
  • 2-[3-[4-(benzyl)-1-piperidyl]propoxy]benzonitrile

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
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0056 0.0065 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0056 0.0065 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.0129 0.0064
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0056 0.0065 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0084 0.0129 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0056 0.0065 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0056 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.008 0.0119 0.0054
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0056 0.0065 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Echinococcus granulosus roundabout 2 0.0096 0.0157 0.0092
Trypanosoma cruzi cytochrome P450, putative 0.0084 0.0129 0.0064
Giardia lamblia Kinase, PLK 0.4393 1 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0056 0.0065 0.5
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0537 0.1165 0.1165
Brugia malayi serine/threonine-protein kinase 6 0.008 0.0119 0.0054
Brugia malayi Cytochrome P450 family protein 0.0178 0.0344 0.0281
Schistosoma mansoni kinase 0.4058 0.9234 0.9229
Echinococcus multilocularis Immunoglobulin 0.0079 0.0117 0.0052
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Brugia malayi Fibronectin type III domain containing protein 0.0079 0.0117 0.0052
Schistosoma mansoni protein kinase 0.008 0.0119 0.0054
Mycobacterium leprae putative cytochrome p450 0.0056 0.0065 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Schistosoma mansoni cell adhesion molecule 0.0089 0.014 0.0075
Echinococcus multilocularis neuroglian 0.0087 0.0135 0.007
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0056 0.0065 0.5
Toxoplasma gondii aurora kinase 0.008 0.0119 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0056 0.0065 0.5
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1523 0.3425 0.3382
Schistosoma mansoni serine/threonine protein kinase 0.4393 1 1
Echinococcus granulosus Immunoglobulin 0.0079 0.0117 0.0052
Loa Loa (eye worm) cytochrome P450 family protein 0.0178 0.0344 0.0344
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0056 0.0065 0.5
Echinococcus multilocularis roundabout 2 0.0096 0.0157 0.0092
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.0129 0.0129
Trypanosoma brucei polo-like protein kinase 0.4393 1 1
Schistosoma mansoni serine/threonine protein kinase 0.008 0.0119 0.0054
Brugia malayi serine/threonine protein kinase 6 0.008 0.0119 0.0054
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0089 0.014 0.0075
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0056 0.0065 0.5
Trypanosoma brucei cytochrome P450, putative 0.0084 0.0129 0.0064
Brugia malayi hypothetical protein 0.0079 0.0117 0.0052
Brugia malayi Immunoglobulin I-set domain containing protein 0.0537 0.1165 0.1107
Onchocerca volvulus Tyrosine kinase homolog 0.0455 0.0979 0.0037
Entamoeba histolytica serine/threonine protein kinase, putative 0.4393 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.4393 1 1
Echinococcus granulosus aurora kinase A 0.008 0.0119 0.0054
Schistosoma mansoni vesicular amine transporter 0.0079 0.0117 0.0052
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0079 0.0117 0.0052
Loa Loa (eye worm) cytochrome P450 family protein 0.0084 0.0129 0.0129
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.4393 1 1
Trichomonas vaginalis CAMK family protein kinase 0.1857 0.4191 0.4121
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Echinococcus multilocularis aurora kinase A 0.008 0.0119 0.0054
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0056 0.0065 0.5
Brugia malayi Cytochrome P450 family protein 0.0084 0.0129 0.0064
Echinococcus granulosus neuroglian 0.0087 0.0135 0.007
Echinococcus granulosus defective proboscis extension response 0.0079 0.0117 0.0052
Schistosoma mansoni nephrin 0.0087 0.0135 0.007
Loa Loa (eye worm) hypothetical protein 0.0089 0.014 0.014
Echinococcus granulosus twitchin 0.0104 0.0173 0.0109
Echinococcus multilocularis Immunoglobulin 0.0079 0.0117 0.0052
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0056 0.0065 0.5
Brugia malayi Cytochrome P450 family protein 0.0084 0.0129 0.0064
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0034 0.0014 0.0014
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0056 0.0065 0.5
Loa Loa (eye worm) AUR protein kinase 0.008 0.0119 0.0119
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.4393 1 1
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0079 0.0117 0.0052
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0056 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Leishmania major protein kinase, putative 0.008 0.0119 0.0054
Echinococcus granulosus serine:threonine protein kinase 12 B 0.008 0.0119 0.0054
Trypanosoma brucei aurora B kinase 0.008 0.0119 0.0054
Echinococcus granulosus serine:threonine protein kinase PLK1 0.4393 1 1
Loa Loa (eye worm) CYP4Cod1 0.0084 0.0129 0.0129
Loa Loa (eye worm) AUR protein kinase 0.008 0.0119 0.0119
Plasmodium vivax serine/threonine protein kinase 6, putative 0.008 0.0119 0.5
Trypanosoma cruzi aurora B kinase, putative 0.008 0.0119 0.0054
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0056 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0056 0.0065 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1857 0.4191 0.4121
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0056 0.0065 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0079 0.0117 0.0052
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.4393 1 1
Loa Loa (eye worm) cytochrome P450 0.0056 0.0065 0.0065
Leishmania major cytochrome p450-like protein 0.0084 0.0129 0.0064
Mycobacterium leprae Conserved hypothetical protein 0.0056 0.0065 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.4393 1 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.008 0.0119 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.0079 0.0117 0.0052
Loa Loa (eye worm) hypothetical protein 0.0096 0.0157 0.0157
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0056 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.0117 0.0117
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1523 0.3425 0.3382
Loa Loa (eye worm) hypothetical protein 0.0096 0.0157 0.0157
Trichomonas vaginalis CAMK family protein kinase 0.4393 1 1
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0056 0.0065 0.5
Loa Loa (eye worm) AUR protein kinase 0.008 0.0119 0.0119
Onchocerca volvulus Serine\/threonine kinase homolog 0.4393 1 1
Brugia malayi serine/threonine kinase 12 0.008 0.0119 0.0054

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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