Detailed information for compound 1429476

Basic information

Technical information
  • TDR Targets ID: 1429476
  • Name: 1-(pyridin-2-ylmethyl)piperidine-4-carboxylic acid hydrochloride
  • MW: 256.729 | Formula: C12H17ClN2O2
  • H donors: 1 H acceptors: 3 LogP: -0.74 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C1CCN(CC1)Cc1ccccn1.Cl
  • InChi: 1S/C12H16N2O2.ClH/c15-12(16)10-4-7-14(8-5-10)9-11-3-1-2-6-13-11;/h1-3,6,10H,4-5,7-9H2,(H,15,16);1H
  • InChiKey: YOISZKTWCOSVNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-pyridylmethyl)piperidine-4-carboxylic acid hydrochloride
  • 1-(2-pyridylmethyl)-4-piperidinecarboxylic acid hydrochloride
  • 1-(2-pyridylmethyl)isonipecotic acid hydrochloride
  • MLS000716834
  • SMR000278351

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum esterase, putative 0.0215 0.5236 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.5672 0.6417
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0215 0.5236 0.5
Schistosoma mansoni amidase 0.0317 0.8838 0.8838
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0215 0.5236 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0317 0.8838 1
Mycobacterium ulcerans lysophospholipase 0.0215 0.5236 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0215 0.5236 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0317 0.8838 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0215 0.5236 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0317 0.8838 0.8838
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.5236 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.4886 0.4886
Plasmodium vivax PST-A protein 0.0215 0.5236 0.5
Plasmodium falciparum lysophospholipase, putative 0.0215 0.5236 0.5
Trypanosoma cruzi monoglyceride lipase, putative 0.0215 0.5236 0.5
Brugia malayi amidase 0.0317 0.8838 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0215 0.5236 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0215 0.5236 0.5
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0215 0.5236 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0317 0.8838 1
Trypanosoma brucei monoglyceride lipase, putative 0.0215 0.5236 0.5
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0215 0.5236 0.5
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0215 0.5236 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0215 0.5236 0.5
Plasmodium falciparum lysophospholipase, putative 0.0215 0.5236 0.5
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.5672 0.6417
Trypanosoma brucei monoglyceride lipase, putative 0.0215 0.5236 0.5
Leishmania major monoglyceride lipase, putative 0.0215 0.5236 0.5
Mycobacterium ulcerans hypothetical protein 0.0215 0.5236 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.4886 0.4886
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0317 0.8838 1
Plasmodium falciparum lysophospholipase, putative 0.0215 0.5236 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0215 0.5236 0.5
Echinococcus granulosus geminin 0.0205 0.4886 0.5528
Echinococcus multilocularis geminin 0.0205 0.4886 0.5528
Loa Loa (eye worm) hypothetical protein 0.0317 0.8838 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.2512 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 5.1735 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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