Detailed information for compound 1537441

Basic information

Technical information
  • TDR Targets ID: 1537441
  • Name: 3-(4-methylphenyl)propyl 2-piperidin-1-ylacet ate
  • MW: 275.386 | Formula: C17H25NO2
  • H donors: 0 H acceptors: 1 LogP: 3.71 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1CCCCC1)OCCCc1ccc(cc1)C
  • InChi: 1S/C17H25NO2/c1-15-7-9-16(10-8-15)6-5-13-20-17(19)14-18-11-3-2-4-12-18/h7-10H,2-6,11-14H2,1H3
  • InChiKey: FXKVMTGIDSOWDG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(4-methylphenyl)propyl 2-(1-piperidyl)acetate
  • 2-(1-piperidyl)acetic acid 3-(4-methylphenyl)propyl ester
  • 2-piperidinoacetic acid 3-(4-methylphenyl)propyl ester
  • 3-(4-methylphenyl)propyl 2-piperidin-1-ylethanoate
  • MLS000727624
  • SMR000306321
  • 3-(4-methylphenyl)propyl piperidin-1-ylacetate

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
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Echinococcus multilocularis Protein lozenge 0.0057 0.0099 0.133
Treponema pallidum penicillin-binding protein (pbp-3) 0.2015 0.9734 0.9733
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.113 0.5379 1
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.113 0.5379 0.6093
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0472 0.2142 0.3736
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0188 0.0745 0.3619
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0189 0.0747 0.1262
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0743 0.3473 0.6096
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0044 0.0035 0.047
Loa Loa (eye worm) hypothetical protein 0.0376 0.1668 0.8067
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0044 0.0035 0.047
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0129 0.1725
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0129 0.1725
Schistosoma mansoni uracil phosphoribosyltransferase 0.0044 0.0035 0.047
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0315 0.1366 0.1517
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0472 0.2142 0.3736
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0144 0.0528 0.0874
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0982 0.465 0.5262
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Onchocerca volvulus 0.0188 0.0745 0.3509
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0129 0.1725
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.113 0.5379 0.9474
Onchocerca volvulus 0.0456 0.2059 1
Brugia malayi Adenine phosphoribosyltransferase 0.0044 0.0035 0.017
Treponema pallidum penicillin-binding protein (pbp-2) 0.113 0.5379 0.5362
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0188 0.0745 1
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.0189 0.0747 0.0811
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.2069 1 1
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 0.1329
Mycobacterium leprae PROBABLE CONSERVED LIPOPROTEIN LPQF 0.0151 0.0561 0.0932
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0129 0.1725
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0337 0.1475 0.2553
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0315 0.1366 0.2359
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0129 0.0462
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0044 0.0035 0.047
Giardia lamblia Guanine phosphoribosyltransferase 0.0188 0.0745 1
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0044 0.0035 0.047
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0743 0.3473 0.6096
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0129 0.1725
Mycobacterium ulcerans penicillin-binding protein PbpA 0.119 0.5675 0.6431
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0982 0.465 0.8183
Brugia malayi orotate phosphoribosyltransferase family protein 0.0044 0.0035 0.017
Loa Loa (eye worm) hypothetical protein 0.0456 0.2059 1
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0188 0.0745 0.081
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Trypanosoma brucei beta lactamase 0.0151 0.0561 0.7404
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0188 0.0745 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0044 0.0035 0.047
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0188 0.0745 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Mycobacterium leprae Probable transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.0189 0.0747 0.1262
Echinococcus granulosus uridine 5' monophosphate synthase 0.0044 0.0035 0.047
Schistosoma mansoni lozenge 0.0057 0.0099 0.133
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0743 0.3473 0.392
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0151 0.0561 0.0932
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0144 0.0528 0.0874
Leishmania major xanthine phosphoribosyltransferase 0.0188 0.0745 1
Brugia malayi jmjC domain containing protein 0.0063 0.0129 0.0624
Echinococcus granulosus adenine phosphoribosyltransferase 0.0044 0.0035 0.047
Echinococcus granulosus lysine specific demethylase 5A 0.0063 0.0129 0.1725
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0982 0.465 0.8183
Brugia malayi hypothetical protein 0.0144 0.0528 0.2563
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0063 0.0129 0.1725
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0044 0.0035 0.047
Loa Loa (eye worm) hypothetical protein 0.0456 0.2059 1
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0044 0.0035 0.047
Treponema pallidum hypothetical protein 0.0189 0.0747 0.0714
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.119 0.5675 1
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0188 0.0745 1
Brugia malayi jmjC domain containing protein 0.0063 0.0129 0.0624
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0188 0.0745 1
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1826 0.8805 1
Loa Loa (eye worm) runx1 0.0057 0.0099 0.0316
Treponema pallidum penicillin-binding protein (pbp-1) 0.2069 1 1
Mycobacterium ulcerans lipoprotein LpqF 0.0151 0.0561 0.06
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0188 0.0745 1
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.119 0.5675 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0188 0.0745 1
Entamoeba histolytica hypothetical protein 0.0037 0 0.5
Brugia malayi hypothetical protein 0.0456 0.2059 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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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