Detailed information for compound 1429028

Basic information

Technical information
  • TDR Targets ID: 1429028
  • Name: N-(pyridin-3-ylmethyl)cyclopentanamine hydroc hloride
  • MW: 212.719 | Formula: C11H17ClN2
  • H donors: 1 H acceptors: 1 LogP: 2.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCC(C1)NCc1cccnc1.Cl
  • InChi: 1S/C11H16N2.ClH/c1-2-6-11(5-1)13-9-10-4-3-7-12-8-10;/h3-4,7-8,11,13H,1-2,5-6,9H2;1H
  • InChiKey: KZPDASKQBCCJRB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-pyridylmethyl)cyclopentanamine hydrochloride
  • cyclopentyl-(3-pyridylmethyl)amine hydrochloride
  • MLS000718456
  • SMR000290724

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis pyruvate kinase 0.004 0.0234 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.007 0.1341
Echinococcus multilocularis dna polymerase kappa 0.0023 0.007 0.1341
Echinococcus multilocularis pyruvate kinase 0.0032 0.0152 0.5671
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.007 0.1341
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0234 0.019
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0234 0.0165
Leishmania major macrophage migration inhibitory factor-like protein 0.105 1 1
Leishmania major pyruvate kinase 0.004 0.0234 0.0165
Schistosoma mansoni DNA polymerase eta 0.0023 0.007 0.1341
Loa Loa (eye worm) hypothetical protein 0.004 0.0234 0.0165
Plasmodium falciparum pyruvate kinase 0.004 0.0234 0.019
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.0234 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0116 0.0047
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0448 0.4177 0.4136
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0234 0.0165
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0234 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.007 0.2987
Loa Loa (eye worm) hypothetical protein 0.0028 0.0116 0.0047
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.105 1 1
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0234 0.0165
Loa Loa (eye worm) macrophage migration inhibitory factor 0.105 1 1
Mycobacterium ulcerans pyruvate kinase 0.004 0.0234 1
Plasmodium vivax pyruvate kinase, putative 0.004 0.0234 0.019
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.105 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Echinococcus multilocularis pyruvate kinase 0.004 0.0234 1
Plasmodium falciparum macrophage migration inhibitory factor 0.105 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.007 0.0026
Loa Loa (eye worm) pyruvate kinase 0.004 0.0234 0.0165
Plasmodium vivax macrophage migration inhibitory factor, putative 0.105 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.007 0.1341
Schistosoma mansoni pyruvate kinase 0.004 0.0234 1
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0116 0.0047
Trypanosoma brucei unspecified product 0.0023 0.007 0.2987
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0234 0.5
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0234 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.007 0.1341
Schistosoma mansoni pyruvate kinase 0.004 0.0234 1
Trypanosoma brucei pyruvate kinase 1 0.004 0.0234 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.007 0.2987
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.007 0.2987
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0234 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Giardia lamblia Macrophage migration inhibitory factor 0.105 1 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0234 0.0165
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.105 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0234 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.105 1 1
Giardia lamblia Pyruvate kinase 0.004 0.0234 0.019
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0234 1
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0234 1
Trichomonas vaginalis conserved hypothetical protein 0.105 1 1
Leishmania major pyruvate kinase 0.004 0.0234 0.0165
Loa Loa (eye worm) pyruvate kinase 0.004 0.0234 0.0165
Chlamydia trachomatis pyruvate kinase 0.004 0.0234 0.5
Echinococcus granulosus dna polymerase eta 0.0023 0.007 0.1341
Echinococcus granulosus pyruvate kinase 0.004 0.0234 1
Echinococcus granulosus pyruvate kinase 0.004 0.0234 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.007 0.1341
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0234 0.0165
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.007 0.2987
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0448 0.4177 0.4136
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.007 0.2987
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.007 0.1341

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 1 (SRC-1) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 631, 731, 1032, 1300 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 2 (SRC-2) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
EC50 (functional) > 79.37 um PUBCHEM_BIOASSAY: Dose response biochemical High Throughput Screening assay for agonists of the steroid receptor coactivator 3 (SRC-3) recruitment by the peroxisome proliferator-activated receptor gamma (PPARgamma). (Class of assay: confirmatory) [Related pubchem assays: 1032, 631, 731 ] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 37.6505 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 79.4328 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
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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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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