Detailed information for compound 1473219

Basic information

Technical information
  • TDR Targets ID: 1473219
  • Name: 3-methyl-2-phenyl-1-[4-(phenylmethyl)piperazi n-1-yl]butan-1-one
  • MW: 336.471 | Formula: C22H28N2O
  • H donors: 0 H acceptors: 1 LogP: 3.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(C(=O)N1CCN(CC1)Cc1ccccc1)c1ccccc1)C
  • InChi: 1S/C22H28N2O/c1-18(2)21(20-11-7-4-8-12-20)22(25)24-15-13-23(14-16-24)17-19-9-5-3-6-10-19/h3-12,18,21H,13-17H2,1-2H3
  • InChiKey: VYFSBPZPKOBWIM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-2-phenyl-1-[4-(phenylmethyl)-1-piperazinyl]butan-1-one
  • 1-[4-(benzyl)piperazin-1-yl]-3-methyl-2-phenyl-butan-1-one
  • STOCK3S-32824

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
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0169 0.2075
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0227 0.0234
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0023 0.0028
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0169 0.2075
Echinococcus granulosus receptor type guanylyl cyclase 0.018 0.0728 0.0728
Echinococcus multilocularis glutamate receptor 2 0.018 0.0728 0.0728
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0014 0.0023 0.0028
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0023 0.0022
Brugia malayi Muscleblind-like protein 0.0154 0.0615 0.0758
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0169 0.2075
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0021
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0116
Echinococcus multilocularis muscleblind protein 1 0.0154 0.0615 0.0614
Brugia malayi metabotropic GABA-B receptor subtype 2 0.018 0.0728 0.0897
Loa Loa (eye worm) hypothetical protein 0.0035 0.0111 0.011
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0117 0.4596
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0169 0.7157
Echinococcus granulosus glutamate receptor 2 0.018 0.0728 0.0728
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.1739 0.7349 0.9055
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0116
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.4413
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0023 0.0397
Schistosoma mansoni cpg binding protein 0.0031 0.0094 0.009
Loa Loa (eye worm) hypothetical protein 0.0016 0.0031 0.003
Brugia malayi hypothetical protein 0.018 0.0728 0.0897
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0117 1
Schistosoma mansoni glutamate receptor NMDA 0.018 0.0728 0.0778
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Leishmania major extracellular receptor, putative 0.018 0.0728 1
Trypanosoma cruzi extracellular receptor, putative 0.018 0.0728 1
Leishmania major hypothetical protein, conserved 0.0026 0.0072 0.0699
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0492 0.2052 0.2051
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.0022
Echinococcus multilocularis receptor type guanylyl cyclase 0.018 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Echinococcus multilocularis nmda type glutamate receptor 0.018 0.0728 0.0728
Brugia malayi metabotropic GABA-B receptor subtype 2 0.0312 0.1285 0.1583
Echinococcus multilocularis metabotropic glutamate receptor 5 0.2363 1 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0031 0.003
Loa Loa (eye worm) RGC/RGC protein kinase 0.018 0.0728 0.0728
Schistosoma mansoni hypothetical protein 0.0312 0.1285 0.1381
Brugia malayi CXXC zinc finger family protein 0.003 0.0087 0.0107
Onchocerca volvulus Poor gastrulation protein homolog 0.0312 0.1285 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.018 0.0728 0.0728
Brugia malayi Receptor family ligand binding region containing protein 0.018 0.0728 0.0897
Echinococcus granulosus tyrosine kinase 0.018 0.0728 0.0728
Onchocerca volvulus Metabotropic glutamate receptor homolog 0.0312 0.1285 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0031 0.003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.018 0.0221
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.4413
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0227 0.29
Onchocerca volvulus Atrial natriuretic peptide receptor 3 homolog 0.018 0.0728 0.559
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.018 0.0728 0.0728
Schistosoma mansoni metabotropic glutamate receptor 0.0935 0.3936 0.4256
Echinococcus multilocularis cpg binding protein 0.0031 0.0094 0.0094
Brugia malayi Receptor family ligand binding region containing protein 0.0492 0.2052 0.2528
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0031 0.003
Loa Loa (eye worm) hypothetical protein 0.0312 0.1285 0.1285
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0014 0.0023 0.0397
Echinococcus granulosus GPCR family 2 0.0016 0.0031 0.003
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0031 0.0038
Echinococcus multilocularis glutamate receptor 2 0.018 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.0014 0.0023 0.0022
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0169 0.727
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0014 0.0023 0.0022
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0116
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0169 1
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0014 0.0023 0.0397
Loa Loa (eye worm) glutamate receptor 0.1919 0.8116 0.8116
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0021
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.2363 1 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.1608 0.6792 0.6792
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0072 0.5247
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0169 0.0208
Loa Loa (eye worm) hypothetical protein 0.0049 0.0169 0.0169
Echinococcus granulosus metabotropic glutamate receptor 2 0.1608 0.6792 0.6792
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0117 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.4413
Loa Loa (eye worm) hypothetical protein 0.0492 0.2052 0.2051
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0031 0.003
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0227 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.018 0.0728 0.0728
Brugia malayi Metabotropic glutamate receptor precursor. 0.1919 0.8116 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.018 0.0728 0.0728
Onchocerca volvulus 0.018 0.0728 0.559
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0169 0.0208
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0014 0.0023 0.0022
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0227 1
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0014 0.0023 0.0397
Schistosoma mansoni tyrosine kinase 0.018 0.0728 0.0778
Loa Loa (eye worm) RGC/RGC protein kinase 0.018 0.0728 0.0728
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0031 0.0038
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.018 0.0728 0.0728
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.02 0.8652
Echinococcus multilocularis GPCR, family 3, C terminal 0.0312 0.1285 0.1285
Echinococcus granulosus nmda type glutamate receptor 0.018 0.0728 0.0728
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.2182 0.9233 1
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0014 0.0023 0.0028
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0072 1
Mycobacterium ulcerans hypothetical protein 0.0049 0.0169 0.7157
Loa Loa (eye worm) oxidoreductase 0.0014 0.0023 0.0022
Echinococcus multilocularis muscleblind protein 0.0154 0.0615 0.0614
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0072 0.0699
Schistosoma mansoni acetyl-CoA synthetase 0.0014 0.0023 0.0012
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0014 0.0023 0.0397
Schistosoma mansoni protein kinase 0.018 0.0728 0.0778
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0169 0.7157
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0116
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0169 0.0208
Echinococcus granulosus GPCR family 3 C terminal 0.0312 0.1285 0.1285
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0169 0.7157
Echinococcus multilocularis microtubule associated protein 2 0.071 0.298 0.2979
Loa Loa (eye worm) glutamate receptor 0.0755 0.3169 0.3169
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.018 0.0179
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0228 0.0235
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0023 0.0028
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0227 0.0227
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0023 0.5
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0227 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0169 0.0169
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0014 0.0023 0.0397
Echinococcus granulosus microtubule associated protein 2 0.071 0.298 0.2979
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0117 0.481
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0014 0.0023 0.0397
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0169 0.2075
Loa Loa (eye worm) RGC/RGC protein kinase 0.018 0.0728 0.0728
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0031 0.003
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0011 0.0011
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0023 0.0028
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0169 0.2075
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0117 1
Brugia malayi hypothetical protein 0.0017 0.0033 0.004
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0169 0.7157
Schistosoma mansoni hypothetical protein 0.0035 0.0111 0.0108
Brugia malayi metabotropic glutamate receptor type 2 0.0935 0.3936 0.485
Echinococcus granulosus atrial natriuretic peptide receptor 0.018 0.0728 0.0728
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0169 0.7157
Schistosoma mansoni cpg binding protein 0.003 0.0087 0.0083
Loa Loa (eye worm) hypothetical protein 0.0036 0.0117 0.0116
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0072 0.5247
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.018 0.0728 0.0728
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0072 0.0699
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0227 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0031 0.003
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0227 0.0234
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Entamoeba histolytica hypothetical protein 0.018 0.0728 1
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0014 0.0023 0.0022
Echinococcus granulosus muscleblind protein 0.0154 0.0615 0.0614
Onchocerca volvulus 0.003 0.0087 0.0513
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0072 0.2411
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.018 0.0221
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0227 0.0227
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0169 0.7157
Schistosoma mansoni metabotropic glutamate receptor 0.1608 0.6792 0.7353
Onchocerca volvulus 0.0049 0.0169 0.116
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0169 0.727
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0492 0.2052 0.2051
Brugia malayi hypothetical protein 0.0026 0.0072 0.0089
Trichomonas vaginalis antibiotic synthetase, putative 0.0014 0.0023 0.5
Echinococcus multilocularis atrial natriuretic peptide receptor 0.018 0.0728 0.0728
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0169 0.7157
Schistosoma mansoni cpg binding protein 0.0031 0.0094 0.009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0227 1
Echinococcus multilocularis tyrosine kinase 0.018 0.0728 0.0728
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0072 0.5247
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0011 0.0011
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.018 0.0728 0.0728
Loa Loa (eye worm) metabotropic glutamate receptor 8 0.018 0.0728 0.0728
Brugia malayi Guanylyl cyclase protein 23 0.018 0.0728 0.0897
Loa Loa (eye worm) hypothetical protein 0.018 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.0026 0.0072 0.0071
Loa Loa (eye worm) hypothetical protein 0.0154 0.0615 0.0614
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0023 0.0397
Schistosoma mansoni microtubule-associated protein tau 0.071 0.298 0.3219
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0108 0.4413
Onchocerca volvulus 0.018 0.0728 0.559
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0169 1
Echinococcus granulosus glutamate receptor 2 0.018 0.0728 0.0728
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0023 0.0397
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0169 0.2075
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0014 0.0023 0.0397
Loa Loa (eye worm) hypothetical protein 0.0051 0.018 0.0179
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.018 0.0728 0.0728
Schistosoma mansoni hypothetical protein 0.0016 0.0031 0.0021
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.0023 0.0397
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0111 0.0136
Echinococcus granulosus cpg binding protein 0.0031 0.0094 0.0094
Schistosoma mansoni tyrosine kinase 0.018 0.0728 0.0778
Loa Loa (eye worm) hypothetical protein 0.0049 0.0169 0.0169
Brugia malayi AMP-binding enzyme family protein 0.0014 0.0023 0.0028
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0087 0.0087
Loa Loa (eye worm) hypothetical protein 0.0154 0.0615 0.0614

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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