Detailed information for compound 1407110

Basic information

Technical information
  • TDR Targets ID: 1407110
  • Name: [4-(phenylmethyl)-1-(pyridin-2-ylmethyl)piper idin-4-yl]methanol
  • MW: 296.407 | Formula: C19H24N2O
  • H donors: 1 H acceptors: 2 LogP: 2.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(CCN(CC1)Cc1ccccn1)Cc1ccccc1
  • InChi: 1S/C19H24N2O/c22-16-19(14-17-6-2-1-3-7-17)9-12-21(13-10-19)15-18-8-4-5-11-20-18/h1-8,11,22H,9-10,12-16H2
  • InChiKey: NUVCZANBLAKFDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(phenylmethyl)-1-(2-pyridylmethyl)-4-piperidyl]methanol
  • [4-(phenylmethyl)-1-(2-pyridylmethyl)-4-piperidinyl]methanol
  • [4-(benzyl)-1-(2-pyridylmethyl)-4-piperidyl]methanol
  • MLS000734806
  • SMR000319468
  • [4-benzyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0205 0.5
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0094 0.2307 0.2307
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0094 0.2307 0.2307
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0094 0.2307 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0091 0.221 0.2285
Echinococcus granulosus lamin dm0 0.0033 0.0495 0.0495
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0205 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3771 0.397
Brugia malayi ShTK domain containing protein 0.0091 0.221 0.2285
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0956 0.0957
Loa Loa (eye worm) hypothetical protein 0.0048 0.0956 0.1006
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0094 0.2307 0.2307
Loa Loa (eye worm) hypothetical protein 0.0033 0.0495 0.0521
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0339 0.95 1
Loa Loa (eye worm) fructose-bisphosphate aldolase 1 0.0094 0.2307 0.2429
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0205 0.0205
Brugia malayi MH2 domain containing protein 0.0144 0.3771 0.3937
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0094 0.2307 1
Brugia malayi fructose-bisphosphate aldolase 1 0.0094 0.2307 0.2388
Trypanosoma brucei fructose-bisphosphate aldolase, glycosomal, putative 0.0094 0.2307 1
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0094 0.2307 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0507 0.0483
Schistosoma mansoni lamin 0.0033 0.0495 0.0295
Schistosoma mansoni lamin 0.0033 0.0495 0.0295
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0205 0.5
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0339 0.95 0.95
Echinococcus multilocularis fructose bisphosphate aldolase class I 0.0094 0.2307 0.2307
Onchocerca volvulus 0.0091 0.221 1
Echinococcus multilocularis lamin 0.0033 0.0495 0.0495
Schistosoma mansoni intermediate filament proteins 0.0033 0.0495 0.0295
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0495 0.0521
Plasmodium vivax fructose 1,6-bisphosphate aldolase, putative 0.0094 0.2307 1
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0094 0.2307 0.2146
Loa Loa (eye worm) fructose-bisphosphate aldolase 2 0.0094 0.2307 0.2429
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0205 0.0164
Loa Loa (eye worm) hypothetical protein 0.0091 0.221 0.2326
Plasmodium falciparum fructose-bisphosphate aldolase 0.0094 0.2307 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0091 0.221 0.2285
Echinococcus multilocularis lamin dm0 0.0033 0.0495 0.0495
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0956 0.0957
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0495 0.0521
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0205 0.5
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0205 0.5
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0094 0.2307 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0205 0.5
Leishmania major fructose-1,6-bisphosphate aldolase 0.0094 0.2307 1
Loa Loa (eye worm) ShTK domain-containing protein 0.0091 0.221 0.2326
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0339 0.95 1
Echinococcus granulosus fructose 16 bisphosphate aldolase 0.0094 0.2307 0.2307
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0094 0.2307 0.2307
Onchocerca volvulus 0.0091 0.221 1
Toxoplasma gondii fructose-bisphosphate aldolase, putative 0.0094 0.2307 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0507 0.0534
Echinococcus multilocularis musashi 0.0033 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0032 0.0477 0.0502
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0091 0.221 0.2285
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3771 0.397
Echinococcus multilocularis fructose 1,6 bisphosphate aldolase 0.0094 0.2307 0.2307
Toxoplasma gondii fructose-1,6-bisphosphate aldolase 0.0094 0.2307 1
Schistosoma mansoni tyrosinase precursor 0.0091 0.221 0.2047
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0339 0.95 0.949
Loa Loa (eye worm) tyrosinase 1 0.0091 0.221 0.2326
Schistosoma mansoni tyrosinase precursor 0.0091 0.221 0.2047
Echinococcus granulosus intermediate filament protein 0.0033 0.0495 0.0495
Trypanosoma cruzi fructose-bisphosphate aldolase, glycosomal, putative 0.0094 0.2307 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0205 0.0216
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0205 0.5
Echinococcus granulosus lamin 0.0033 0.0495 0.0495
Brugia malayi Common central domain of tyrosinase family protein 0.0091 0.221 0.2285
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0495 0.047
Echinococcus granulosus fructose bisphosphate aldolase class I 0.0094 0.2307 0.2307
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0956 0.1006
Brugia malayi intermediate filament protein 0.0033 0.0495 0.047
Loa Loa (eye worm) ShTK domain-containing protein 0.0091 0.221 0.2326
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0339 0.95 0.95
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0051 0.0053
Onchocerca volvulus 0.0091 0.221 1
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0091 0.221 0.2285
Onchocerca volvulus 0.0091 0.221 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0205 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0507 0.0308
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0205 0.0205
Schistosoma mansoni fructose 16-bisphosphate aldolase 0.0094 0.2307 0.2146
Brugia malayi fructose-bisphosphate aldolase 2 0.0094 0.2307 0.2388
Loa Loa (eye worm) hypothetical protein 0.0091 0.221 0.2326

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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
Homo sapiens 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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