Detailed information for compound 1469311

Basic information

Technical information
  • TDR Targets ID: 1469311
  • Name: 1-(4-methylpiperazin-1-yl)propan-2-yl benzoat e
  • MW: 262.347 | Formula: C15H22N2O2
  • H donors: 0 H acceptors: 1 LogP: 2.06 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC(=O)c1ccccc1)CN1CCN(CC1)C
  • InChi: 1S/C15H22N2O2/c1-13(12-17-10-8-16(2)9-11-17)19-15(18)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3
  • InChiKey: RDIGRIHLBCLZPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [1-methyl-2-(4-methylpiperazin-1-yl)ethyl] benzoate
  • benzoic acid [1-methyl-2-(4-methyl-1-piperazinyl)ethyl] ester
  • benzoic acid [1-methyl-2-(4-methylpiperazin-1-yl)ethyl] ester
  • STOCK3S-79083
  • AO-365/41690608
  • BAS 05947873

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 granulosus aurora kinase A 0.0081 0.0128 0.0058
Brugia malayi hypothetical protein 0.008 0.0125 0.0056
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.4137 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0057 0.007 0.5
Trypanosoma brucei polo-like protein kinase 0.4137 1 1
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.1436 0.3425 0.3379
Trypanosoma cruzi cytochrome P450, putative 0.0085 0.0138 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Echinococcus granulosus roundabout 2 0.0097 0.0168 0.0099
Brugia malayi serine/threonine-protein kinase 6 0.0081 0.0128 0.0058
Loa Loa (eye worm) cytochrome P450 family protein 0.0179 0.0368 0.0368
Trypanosoma cruzi aurora B kinase, putative 0.0081 0.0128 0.0058
Toxoplasma gondii aurora kinase 0.0081 0.0128 1
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0089 0.0149 0.008
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0057 0.007 0.5
Brugia malayi serine/threonine kinase 12 0.0081 0.0128 0.0058
Onchocerca volvulus Serine\/threonine kinase homolog 0.4137 1 1
Schistosoma mansoni vesicular amine transporter 0.008 0.0125 0.0056
Schistosoma mansoni serine/threonine protein kinase 0.4137 1 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Loa Loa (eye worm) AUR protein kinase 0.0081 0.0128 0.0128
Entamoeba histolytica serine/threonine protein kinase, putative 0.4137 1 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.008 0.0125 0.0056
Schistosoma mansoni serine/threonine protein kinase 0.0081 0.0128 0.0058
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Loa Loa (eye worm) cytochrome P450 family protein 0.0085 0.0138 0.0138
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0057 0.007 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.4137 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0085 0.0138 0.0138
Loa Loa (eye worm) cytochrome P450 0.0057 0.007 0.007
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0057 0.007 0.5
Brugia malayi Cytochrome P450 family protein 0.0085 0.0138 0.0069
Schistosoma mansoni protein kinase 0.0081 0.0128 0.0058
Schistosoma mansoni nephrin 0.0087 0.0144 0.0075
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0057 0.007 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.4137 1 1
Echinococcus multilocularis roundabout 2 0.0097 0.0168 0.0099
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.1436 0.3425 0.3379
Brugia malayi serine/threonine protein kinase 6 0.0081 0.0128 0.0058
Giardia lamblia Kinase, PLK 0.4137 1 1
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0057 0.007 0.5
Leishmania major cytochrome p450-like protein 0.0085 0.0138 0.0069
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Trypanosoma brucei cytochrome P450, putative 0.0085 0.0138 0.0069
Leishmania major protein kinase, putative 0.0081 0.0128 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0057 0.007 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0057 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0097 0.0168 0.0168
Echinococcus multilocularis Immunoglobulin 0.008 0.0125 0.0056
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0057 0.007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0057 0.007 0.5
Echinococcus granulosus neuroglian 0.0087 0.0144 0.0075
Echinococcus granulosus twitchin 0.0103 0.0183 0.0114
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0057 0.007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0057 0.007 0.5
Brugia malayi Immunoglobulin I-set domain containing protein 0.054 0.1246 0.1184
Trichomonas vaginalis CAMK family protein kinase 0.4137 1 1
Onchocerca volvulus Tyrosine kinase homolog 0.0458 0.1047 0.004
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0033 0.0013 0.0013
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0057 0.007 0.5
Loa Loa (eye worm) AUR protein kinase 0.0081 0.0128 0.0128
Echinococcus multilocularis basement membrane specific heparan sulfate 0.008 0.0125 0.0056
Echinococcus granulosus Immunoglobulin 0.008 0.0125 0.0056
Echinococcus multilocularis neuroglian 0.0087 0.0144 0.0075
Loa Loa (eye worm) CYP4Cod1 0.0085 0.0138 0.0138
Trypanosoma brucei aurora B kinase 0.0081 0.0128 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0057 0.007 0.5
Schistosoma mansoni Neurotrimin precursor (hNT) 0.008 0.0125 0.0056
Plasmodium falciparum serine/threonine protein kinase, putative 0.0081 0.0128 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0057 0.007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0057 0.007 0.5
Schistosoma mansoni cell adhesion molecule 0.0089 0.0149 0.008
Trichomonas vaginalis CAMK family protein kinase 0.1749 0.4188 0.4113
Brugia malayi Immunoglobulin I-set domain containing protein 0.008 0.0125 0.0056
Echinococcus multilocularis aurora kinase A 0.0081 0.0128 0.0058
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0057 0.007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0057 0.007 0.5
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0057 0.007 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.4137 1 1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0057 0.007 0.5
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0081 0.0128 0.0058
Trypanosoma cruzi polo-like protein kinase, putative 0.4137 1 1
Trichomonas vaginalis CAMK family protein kinase 0.1749 0.4188 0.4113
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.4137 1 1
Brugia malayi Fibronectin type III domain containing protein 0.008 0.0125 0.0056
Echinococcus granulosus defective proboscis extension response 0.008 0.0125 0.0056
Loa Loa (eye worm) TK/KIN16 protein kinase 0.054 0.1246 0.1246
Loa Loa (eye worm) AUR protein kinase 0.0081 0.0128 0.0128
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0081 0.0128 0.0058
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Schistosoma mansoni kinase 0.3824 0.9238 0.9232
Loa Loa (eye worm) hypothetical protein 0.0097 0.0168 0.0168
Trypanosoma cruzi cytochrome P450, putative 0.0085 0.0138 0.0069
Loa Loa (eye worm) hypothetical protein 0.008 0.0125 0.0125
Mycobacterium leprae putative cytochrome p450 0.0057 0.007 0.5
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0085 0.0138 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0081 0.0128 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0057 0.007 0.5
Brugia malayi Cytochrome P450 family protein 0.0179 0.0368 0.03
Brugia malayi Cytochrome P450 family protein 0.0085 0.0138 0.0069
Echinococcus multilocularis Immunoglobulin 0.008 0.0125 0.0056
Loa Loa (eye worm) hypothetical protein 0.0089 0.0149 0.0149

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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