Detailed information for compound 1207566

Basic information

Technical information
  • TDR Targets ID: 1207566
  • Name: 1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]m ethyl]-4-pyridin-3-ylpiperidin-4-ol hydrochlo ride
  • MW: 400.905 | Formula: C20H25ClN6O
  • H donors: 1 H acceptors: 5 LogP: 2.28 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cn1nnnc1CN1CCC(CC1)(O)c1cccnc1.Cl
  • InChi: 1S/C20H24N6O.ClH/c1-16-4-6-17(7-5-16)14-26-19(22-23-24-26)15-25-11-8-20(27,9-12-25)18-3-2-10-21-13-18;/h2-7,10,13,27H,8-9,11-12,14-15H2,1H3;1H
  • InChiKey: SYGLNRJZDBWPMK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[1-(p-tolylmethyl)tetrazol-5-yl]methyl]-4-(3-pyridyl)piperidin-4-ol hydrochloride
  • 1-[[1-(p-tolylmethyl)-5-tetrazolyl]methyl]-4-(3-pyridyl)-4-piperidinol hydrochloride
  • 1-[[1-(4-methylbenzyl)tetrazol-5-yl]methyl]-4-(3-pyridyl)piperidin-4-ol hydrochloride
  • 1-[[1-[(4-methylphenyl)methyl]-1,2,3,4-tetrazol-5-yl]methyl]-4-pyridin-3-yl-piperidin-4-ol hydrochloride
  • MLS000856798
  • SMR000278743

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

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 DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2642 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0.2642 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2642 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Entamoeba histolytica hypothetical protein 0.0043 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.2642 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.2642 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.2642 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.2642 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.2642 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2642 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.2642 0.5
Giardia lamblia DINP protein human, muc B family 0.0023 0.2642 0.5
Entamoeba histolytica hypothetical protein 0.0043 1 1
Schistosoma mansoni hypothetical protein 0.0043 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2642 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.2642 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2642 0.5
Entamoeba histolytica hypothetical protein 0.0043 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.2642 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.2642 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.2642 1
Entamoeba histolytica hypothetical protein 0.0043 1 1
Trypanosoma brucei unspecified product 0.0023 0.2642 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.058 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 32.6427 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) = 39.8107 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: 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 Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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