Detailed information for compound 1550234

Basic information

Technical information
  • TDR Targets ID: 1550234
  • Name: 2-methyl-1-[4-(phenylmethyl)piperidin-1-yl]pr opan-1-one
  • MW: 245.36 | Formula: C16H23NO
  • H donors: 0 H acceptors: 1 LogP: 3.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)N1CCC(CC1)Cc1ccccc1)C
  • InChi: 1S/C16H23NO/c1-13(2)16(18)17-10-8-15(9-11-17)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3
  • InChiKey: VACPZZBFCLJGKU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-methyl-1-[4-(phenylmethyl)-1-piperidyl]propan-1-one
  • 2-methyl-1-[4-(phenylmethyl)-1-piperidinyl]propan-1-one
  • 1-[4-(benzyl)-1-piperidyl]-2-methyl-propan-1-one
  • 77251-48-0
  • AI3-37157
  • Piperidine, 1-(2-methyl-1-oxopropyl)-4-(phenylmethyl)- (9CI)
  • MLS001183638
  • SMR000502782
  • 1-(2-Methyl-1-oxopropyl)-4-(phenylmethyl)piperidine

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
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0076 0.0062
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0092 0.0183
Onchocerca volvulus 0.0112 0.0471 0.1653
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0084 0.031 0.0879
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0092 0.0031
Trypanosoma brucei ribonuclease H1 0.0473 0.2542 0.2497
Echinococcus multilocularis thyroid hormone receptor alpha 0.0161 0.0755 0.2797
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0084 0.031 0.122
Mycobacterium tuberculosis Conserved protein 0.0084 0.031 0.0879
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.0938 0.3535
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0473 0.2542 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0084 0.031 0.5
Echinococcus multilocularis histone acetyltransferase MYST2 0.0064 0.02 0.0559
Trypanosoma cruzi ribonuclease H1, putative 0.0473 0.2542 1
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0092 0.0363
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.031 0.0251
Toxoplasma gondii ABC1 family protein 0.0084 0.031 0.0948
Schistosoma mansoni hypothetical protein 0.0203 0.0993 0.0937
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0076 0.0062
Echinococcus granulosus beta LACTamase domain containing family member 0.0084 0.031 0.1004
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.031 0.1004
Brugia malayi RNase H family protein 0.0473 0.2542 1
Schistosoma mansoni phosphoglucomutase 0.0473 0.2542 0.2497
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0057 0.0155 0.0094
Onchocerca volvulus 0.0084 0.031 0.1004
Brugia malayi Glycosyl hydrolases family 31 protein 0.0043 0.0076 0.0301
Brugia malayi Zinc knuckle family protein 0.004 0.0061 0.024
Echinococcus multilocularis neutral alpha glucosidase AB 0.0043 0.0076 0.0062
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0064 0.02 0.0559
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0076 0.0062
Loa Loa (eye worm) hypothetical protein 0.0064 0.02 0.1432
Echinococcus multilocularis SAM and MBT domain containing protein 0.0057 0.0155 0.0378
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Brugia malayi Bromodomain containing protein 0.0089 0.034 0.1339
Schistosoma mansoni alpha glucosidase 0.0043 0.0076 0.0015
Schistosoma mansoni bromodomain containing protein 0.0075 0.0261 0.0201
Schistosoma mansoni sex comb on midleg homolog 0.0057 0.0155 0.0094
Echinococcus multilocularis polycomb protein SCMH1 0.0057 0.0155 0.0378
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0076 0.0062
Mycobacterium ulcerans lipase LipD 0.0084 0.031 0.5
Brugia malayi Glycosyl hydrolases family 31 protein 0.0193 0.0938 0.369
Brugia malayi beta-lactamase family protein 0.0084 0.031 0.122
Mycobacterium tuberculosis Conserved protein 0.0084 0.031 0.0879
Leishmania major ribonuclease H1, putative 0.0473 0.2542 1
Schistosoma mansoni thyroid hormone receptor 0.0161 0.0755 0.0698
Brugia malayi hypothetical protein 0.004 0.0061 0.024
Loa Loa (eye worm) hypothetical protein 0.0048 0.0108 0.0362
Loa Loa (eye worm) hypothetical protein 0.0084 0.0311 0.2727
Mycobacterium tuberculosis Conserved protein 0.0084 0.031 0.0879
Schistosoma mansoni thyroid hormone receptor 0.0161 0.0755 0.0698
Brugia malayi reverse transcriptase 0.004 0.0061 0.024
Brugia malayi mbt repeat family protein 0.0057 0.0155 0.0609
Brugia malayi mbt repeat family protein 0.0057 0.0155 0.0609
Echinococcus granulosus neutral alpha glucosidase AB 0.0043 0.0076 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0092 0.0126
Trypanosoma brucei hypothetical protein, conserved 0.0514 0.2773 0.2728
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0076 0.5
Onchocerca volvulus 0.0084 0.031 0.1004
Toxoplasma gondii ribonuclease HI protein 0.0473 0.2542 1
Mycobacterium leprae Probable lipase LipE 0.0084 0.031 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0075 0.0056
Mycobacterium tuberculosis Probable lipase LipD 0.0084 0.031 0.0879
Schistosoma mansoni phosphoglucomutase 0.0473 0.2542 0.2497
Schistosoma mansoni myelin transcription factor 1 myt1 0.0064 0.02 0.014
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Brugia malayi beta-lactamase 0.0084 0.031 0.122
Schistosoma mansoni sex comb on midleg homolog 0.0057 0.0155 0.0094
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.031 0.1004
Onchocerca volvulus 0.0084 0.031 0.1004
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Trichomonas vaginalis maltase-glucoamylase, putative 0.0043 0.0076 0.0062
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Mycobacterium tuberculosis Probable hydrolase 0.0084 0.031 0.0879
Schistosoma mansoni hypothetical protein 0.0344 0.1802 0.1751
Brugia malayi reverse transcriptase 0.004 0.0061 0.024
Loa Loa (eye worm) hypothetical protein 0.0046 0.0091 0.0175
Onchocerca volvulus 0.0057 0.0155 0.0378
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0084 0.031 0.0879
Brugia malayi RNase H family protein 0.0473 0.2542 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0193 0.0938 0.3535
Brugia malayi hypothetical protein 0.004 0.0061 0.024
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0149 0.0686 0.252
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0092 0.0126
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0092 0.0031
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0084 0.031 0.2713
Trypanosoma cruzi ribonuclease H1, putative 0.0473 0.2542 1
Trichomonas vaginalis esterase, putative 0.0084 0.031 0.1004
Trypanosoma brucei hypothetical protein, conserved 0.0084 0.031 0.0251
Trypanosoma brucei RNA helicase, putative 0.1775 1 1
Mycobacterium ulcerans hypothetical protein 0.0084 0.031 0.5
Echinococcus granulosus SAM and MBT domain containing protein 0.0057 0.0155 0.0378
Mycobacterium tuberculosis Probable lipase LipE 0.0084 0.031 0.0879
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0076 0.0062
Brugia malayi MH2 domain containing protein 0.0143 0.0649 0.2554
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.031 0.1004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0193 0.0938 1
Trypanosoma brucei unspecified product 0.0514 0.2773 0.2728
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.0649 0.6649
Brugia malayi Bromodomain containing protein 0.0045 0.0091 0.0358
Mycobacterium ulcerans beta-lactamase 0.0084 0.031 0.5
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0043 0.0076 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.0649 0.6649
Echinococcus granulosus geminin 0.0203 0.0993 0.3754
Brugia malayi beta-lactamase family protein 0.0084 0.031 0.122
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0223 0.1108 0.4221
Echinococcus granulosus polycomb protein SCMH1 0.0057 0.0155 0.0378
Leishmania major hypothetical protein, conserved 0.0084 0.031 0.0948
Mycobacterium tuberculosis Probable esterase LipL 0.0084 0.031 0.0879
Loa Loa (eye worm) hypothetical protein 0.0057 0.0155 0.0911
Treponema pallidum ribonuclease H (rnhA) 0.0473 0.2542 0.5
Loa Loa (eye worm) mbt repeat family protein 0.0057 0.0155 0.0911
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Brugia malayi Zinc knuckle family protein 0.004 0.0061 0.024
Loa Loa (eye worm) hypothetical protein 0.0051 0.0121 0.0512
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0043 0.0076 0.0062
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0092 0.0126
Brugia malayi RNase H family protein 0.0473 0.2542 1
Plasmodium vivax hypothetical protein, conserved 0.0084 0.031 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0223 0.1108 0.4221
Giardia lamblia Ribonuclease H 0.0473 0.2542 1
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Echinococcus granulosus ribonuclease H1 0.0473 0.2542 1
Brugia malayi hypothetical protein 0.004 0.0061 0.024
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0064 0.02 0.0559
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0236 0.0707
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0149 0.0686 0.252
Echinococcus granulosus lysosomal alpha glucosidase 0.0193 0.0938 0.3535
Schistosoma mansoni alpha-glucosidase 0.0166 0.0784 0.0727
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0076 0.0062
Echinococcus multilocularis geminin 0.0203 0.0993 0.3754
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Trypanosoma brucei ingi protein (ORF1) 0.0514 0.2773 0.2728
Trichomonas vaginalis sucrase-isomaltase, putative 0.0043 0.0076 0.0062
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0084 0.031 0.5
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Onchocerca volvulus Ribonuclease H1 homolog 0.0473 0.2542 1
Schistosoma mansoni phosphoglucomutase 0.0473 0.2542 0.2497
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0084 0.031 0.0251
Schistosoma mansoni hypothetical protein 0.0203 0.0993 0.0937
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Loa Loa (eye worm) beta-lactamase 0.0084 0.031 0.2713
Mycobacterium leprae conserved hypothetical protein 0.0084 0.031 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0084 0.031 0.1004
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0535 0.2894 1
Schistosoma mansoni alpha-glucosidase 0.0166 0.0784 0.0727
Schistosoma mansoni hypothetical protein 0.0149 0.0686 0.0629
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0092 0.0031
Loa Loa (eye worm) hypothetical protein 0.0084 0.031 0.2713
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.031 0.1004
Trichomonas vaginalis alpha-glucosidase, putative 0.0043 0.0076 0.0062
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0236 0.0707
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0075 0.0056
Brugia malayi reverse transcriptase 0.004 0.0061 0.024
Echinococcus granulosus histone acetyltransferase MYST2 0.0064 0.02 0.0559
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0092 0.0126
Echinococcus multilocularis ribonuclease H1 0.0473 0.2542 1
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0057 0.0155 0.0378
Echinococcus multilocularis beta LACTamase domain containing family member 0.0084 0.031 0.1004
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0076 0.0062
Trichomonas vaginalis D-aminoacylase, putative 0.0084 0.031 0.1004
Brugia malayi Pao retrotransposon peptidase family protein 0.004 0.0061 0.024
Loa Loa (eye worm) MBCTL1 0.0064 0.02 0.1432
Trypanosoma brucei ingi protein (ORF1) 0.0514 0.2773 0.2728
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0084 0.031 0.0879
Trichomonas vaginalis ribonuclease H1, putative 0.0473 0.2542 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0064 0.02 0.0786
Trypanosoma cruzi hypothetical protein, conserved 0.0084 0.031 0.1004
Trypanosoma brucei glucosidase, putative 0.0043 0.0076 0.0015
Brugia malayi hypothetical protein 0.004 0.0061 0.024
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0514 0.2773 0.2728

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

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