Detailed information for compound 1307824

Basic information

Technical information
  • TDR Targets ID: 1307824
  • Name: 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4 -methylpiperidine
  • MW: 239.317 | Formula: C11H21N5O
  • H donors: 0 H acceptors: 3 LogP: 0.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1nnnc1CN1CCC(CC1)C
  • InChi: 1S/C11H21N5O/c1-10-3-5-15(6-4-10)9-11-12-13-14-16(11)7-8-17-2/h10H,3-9H2,1-2H3
  • InChiKey: ZSNAIUCDJVKDHQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-4-methyl-piperidine
  • 1-[[1-(2-methoxyethyl)-5-tetrazolyl]methyl]-4-methylpiperidine
  • 1-[[1-(2-methoxyethyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-piperidine
  • Oprea1_826188
  • Oprea1_154643
  • ASN 05346186
  • MLS000121200
  • SMR000118613
  • 1-[1-(2-Methoxy-ethyl)-1H-tetrazol-5-ylmethyl]-4-methyl-piperidine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Loa Loa (eye worm) aldehyde dehydrogenase 0.0004 0.0007 0.0007
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.0007 0.0007
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.3748 0.4782
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.0374 0.0374
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Treponema pallidum gamma-glutamyl phosphate reductase 0.0004 0.0007 0.5
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0.0007 0.0018
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.5828 0.7441
Trichomonas vaginalis succinate semialdehyde dehydrogenase, putative 0.0004 0.0007 0.0018
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 1 1
Giardia lamblia Alcohol dehydrogenase 0.0004 0.0007 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.6579 0.6579
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.2864 0.2864
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.783 0.783
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3748 1
Trichomonas vaginalis helicase, putative 0.0007 0.0302 0.0805
Brugia malayi CXXC zinc finger family protein 0.0029 0.2864 0.2864
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Schistosoma mansoni cpg binding protein 0.0031 0.3053 0.3053
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Brugia malayi Inositol-1 0.0037 0.3748 0.3748
Schistosoma mansoni cpg binding protein 0.0029 0.2864 0.2864
Loa Loa (eye worm) hypothetical protein 0.0004 0.0007 0.0007
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.2988 0.7969
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.0374 0.0374
Echinococcus multilocularis betaine aldehyde dehydrogenase 0.0004 0.0007 0.0007
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.783 1
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0004 0.0007 0.0007
Onchocerca volvulus Aldehyde dehydrogenase homolog 0.0004 0.0007 0.0024
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.3748 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.783 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 1 1
Brugia malayi Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor 0.0004 0.0007 0.0007
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.3748 1
Loa Loa (eye worm) hypothetical protein 0.0004 0.0007 0.0007
Loa Loa (eye worm) delta-1-pyrroline-5-carboxylate dehydrogenase 0.0004 0.0007 0.0007
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0576 0.0576
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.783 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.3748 0.4782
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 1 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.3748 0.3748
Loa Loa (eye worm) aldehyde dehydrogenase 4 0.0004 0.0007 0.0007
Schistosoma mansoni hypothetical protein 0.0004 0.0007 0.0007
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0302 0.0805
Brugia malayi hypothetical protein 0.003 0.2988 0.2988
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.783 0.783
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0563 0.0563
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.0007 0.0007
Leishmania major hypothetical protein, conserved 0.003 0.2988 0.3811
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.0007 0.0007
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0026 0.0026
Schistosoma mansoni aldehyde dehydrogenase 0.0004 0.0007 0.0007
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.1093 0.1093
Loa Loa (eye worm) inositol-1 0.0037 0.3748 0.3748
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.783 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.0374 0.0374
Echinococcus multilocularis succinate semialdehyde dehydrogenase 0.0004 0.0007 0.0007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3748 1
Loa Loa (eye worm) hypothetical protein 0.003 0.2988 0.2988
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.3748 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.783 0.783
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0093 1 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.3308 0.422
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Echinococcus multilocularis aldehyde dehydrogenase family 3 member B1 0.0004 0.0007 0.0007
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.1093 0.1093
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.3748 1
Entamoeba histolytica aldehyde dehydrogenase 1, putative 0.0004 0.0007 0.0018
Brugia malayi Succinate semialdehyde dehydrogenase, mitochondrial precursor 0.0004 0.0007 0.0007
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.2988 0.3811
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0576 0.0576
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2988 0.7969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0.0007 0.0018
Brugia malayi hypothetical protein 0.002 0.177 0.177
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.2988 0.5
Echinococcus granulosus succinate semialdehyde dehydrogenase 0.0004 0.0007 0.0007
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.783 0.783
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Schistosoma mansoni inositol monophosphatase 0.0037 0.3748 0.3748
Echinococcus granulosus aldehyde dehydrogenase family 3 member B1 0.0004 0.0007 0.0007
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.3748 1
Echinococcus multilocularis cpg binding protein 0.0031 0.3053 0.3053
Schistosoma mansoni succinate semialdehyde dehydrogenase 0.0004 0.0007 0.0007
Echinococcus granulosus Fatty aldehyde dehydrogenase 0.0004 0.0007 0.0007
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.3308 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2988 0.5
Brugia malayi Aldehyde dehydrogenase protein 4 0.0004 0.0007 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0093 1 1
Echinococcus granulosus betaine aldehyde dehydrogenase 0.0004 0.0007 0.0007
Entamoeba histolytica aldehyde-alcohol dehydrogenase 2, putative 0.0004 0.0007 0.0018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0093 1 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3748 1
Echinococcus granulosus cpg binding protein 0.0031 0.3053 0.3053
Schistosoma mansoni inositol monophosphatase 0.0037 0.3748 0.3748
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.783 1
Schistosoma mansoni delta 1-pyrroline-5-carboxylate synthetase 0.0004 0.0007 0.0007
Onchocerca volvulus 0.0029 0.2864 1
Echinococcus multilocularis Fatty aldehyde dehydrogenase 0.0004 0.0007 0.0007
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.0374 0.0374
Schistosoma mansoni cpg binding protein 0.0031 0.3053 0.3053
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0302 0.0805
Schistosoma mansoni hypothetical protein 0.0014 0.1093 0.1093
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0302 0.0805
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.2988 0.5
Brugia malayi aldehyde dehydrogenase 0.0004 0.0007 0.0007
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0302 0.0805
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.2988 0.7969
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0374 0.0374
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0093 1 1
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.3748 0.3748
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0576 0.0576
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.783 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.3748 0.4782

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 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) 8.9125 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.