Detailed information for compound 1326649

Basic information

Technical information
  • TDR Targets ID: 1326649
  • Name: 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)te trazol-5-yl]methyl]piperidine-4-carboxamide h ydrochloride
  • MW: 436.936 | Formula: C20H29ClN6O3
  • H donors: 1 H acceptors: 4 LogP: 1.62 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C(c1nnnn1CC1CCCO1)N1CCC(CC1)C(=O)N.Cl
  • InChi: 1S/C20H28N6O3.ClH/c1-28-17-7-3-2-6-16(17)18(25-10-8-14(9-11-25)19(21)27)20-22-23-24-26(20)13-15-5-4-12-29-15;/h2-3,6-7,14-15,18H,4-5,8-13H2,1H3,(H2,21,27);1H
  • InChiKey: QZEABRSLROOOCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[(2-methoxyphenyl)-[1-(tetrahydrofuran-2-ylmethyl)tetrazol-5-yl]methyl]piperidine-4-carboxamide hydrochloride
  • 1-[(2-methoxyphenyl)-[1-(2-tetrahydrofuranylmethyl)-5-tetrazolyl]methyl]-4-piperidinecarboxamide hydrochloride
  • 1-[(2-methoxyphenyl)-[1-(tetrahydrofurfuryl)tetrazol-5-yl]methyl]isonipecotamide hydrochloride
  • 1-[(2-methoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidine-4-carboxamide hydrochloride
  • 1-{(2-Methoxy-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperidine-4-carboxylic acid amide
  • MLS000121006
  • SMR000118464

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
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
Loa Loa (eye worm) nuclear factor I 0.0038 0.0029 0.0029
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0068 0.0344 0.0937
Mycobacterium ulcerans beta-lactamase 0.0043 0.009 0.5
Schistosoma mansoni hypothetical protein 0.0111 0.0791 0.2152
Echinococcus granulosus mothers against decapentaplegic 5 0.0068 0.0344 0.0937
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.009 0.0244
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0111 0.0791 0.2152
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0388 0.3674 0.3674
Echinococcus multilocularis tar DNA binding protein 0.0388 0.3674 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0111 0.0791 0.2152
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0245
Echinococcus granulosus smad 0.0068 0.0344 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.5
Schistosoma mansoni hypothetical protein 0.0111 0.0791 0.2152
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.009 0.0245
Brugia malayi beta-lactamase 0.0043 0.009 0.009
Loa Loa (eye worm) hypothetical protein 0.0038 0.0029 0.0029
Loa Loa (eye worm) RNA binding protein 0.0388 0.3674 0.3674
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2524 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.009 1
Echinococcus granulosus Smad4 0.0068 0.0344 0.0937
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.5
Schistosoma mansoni smad 0.0068 0.0344 0.0937
Brugia malayi MH2 domain containing protein 0.0068 0.0344 0.0344
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0068 0.0344 0.0937
Plasmodium falciparum importin beta, putative 0.0035 0 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.009 0.0244
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0111 0.0791 0.2152
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.009 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.009 0.0244
Brugia malayi RNA binding protein 0.0388 0.3674 0.3674
Brugia malayi MH1 domain containing protein 0.0038 0.0029 0.0029
Loa Loa (eye worm) hypothetical protein 0.0111 0.0791 0.0791
Trichomonas vaginalis esterase, putative 0.0043 0.009 0.5
Echinococcus multilocularis smad 0.0068 0.0344 0.0937
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Onchocerca volvulus 0.0043 0.009 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.0068 0.0344 0.0937
Loa Loa (eye worm) Smad1 0.0068 0.0344 0.0344
Brugia malayi TAR-binding protein 0.0388 0.3674 0.3674
Brugia malayi Smad1 0.0068 0.0344 0.0344
Echinococcus multilocularis snurportin 1 0.0372 0.35 0.9528
Onchocerca volvulus 0.0043 0.009 0.5
Onchocerca volvulus 0.0043 0.009 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.009 0.009
Mycobacterium ulcerans lipase LipD 0.0043 0.009 0.5
Schistosoma mansoni smad1 5 8 and 0.0068 0.0344 0.0937
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.009 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0388 0.3674 1
Echinococcus granulosus snurportin 1 0.0372 0.35 0.9528
Schistosoma mansoni tar DNA-binding protein 0.0388 0.3674 1
Mycobacterium ulcerans hypothetical protein 0.0043 0.009 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Loa Loa (eye worm) latrophilin receptor protein 2 0.0111 0.0791 0.0791
Brugia malayi MH1 domain containing protein 0.0038 0.0029 0.0029
Brugia malayi Calcitonin receptor-like protein seb-1 0.0351 0.328 0.328
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.009 0.5
Brugia malayi Latrophilin receptor protein 2 0.0111 0.0791 0.0791
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.009 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.0068 0.0344 0.0937
Loa Loa (eye worm) transcription factor SMAD2 0.0997 1 1
Brugia malayi hypothetical protein 0.0043 0.009 0.009
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.5
Loa Loa (eye worm) hypothetical protein 0.024 0.2128 0.2128
Echinococcus multilocularis GPCR, family 2 0.0111 0.0791 0.2152
Mycobacterium leprae Probable lipase LipE 0.0043 0.009 0.5
Brugia malayi MH2 domain containing protein 0.0068 0.0344 0.0344
Loa Loa (eye worm) hypothetical protein 0.0351 0.328 0.328
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Brugia malayi RNA recognition motif domain containing protein 0.0388 0.3674 0.3674
Schistosoma mansoni hypothetical protein 0.0111 0.0791 0.2152
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0351 0.328 0.328
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.009 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.024 0.2128 0.2128
Loa Loa (eye worm) beta-lactamase 0.0043 0.009 0.009
Echinococcus multilocularis Smad4 0.0068 0.0344 0.0937
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.5
Schistosoma mansoni smad1 5 8 and 0.0068 0.0344 0.0937
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.35 0.35
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.009 0.5
Schistosoma mansoni Smad4 0.0068 0.0344 0.0937
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.009 0.0244
Brugia malayi RNA, U transporter 1 0.0099 0.0667 0.0667
Loa Loa (eye worm) hypothetical protein 0.0043 0.009 0.009
Echinococcus granulosus tar DNA binding protein 0.0388 0.3674 1
Schistosoma mansoni hypothetical protein 0.0111 0.0791 0.2152
Schistosoma mansoni hypothetical protein 0.024 0.2128 0.5793
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0111 0.0791 0.0791
Schistosoma mansoni hypothetical protein 0.0372 0.35 0.9528
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0111 0.0791 0.2152
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.009 0.009
Toxoplasma gondii ABC1 family protein 0.0043 0.009 1
Brugia malayi MH1 domain containing protein 0.0068 0.0344 0.0344
Schistosoma mansoni tar DNA-binding protein 0.0388 0.3674 1
Loa Loa (eye worm) TAR-binding protein 0.0388 0.3674 0.3674
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.5
Schistosoma mansoni smad1 5 8 and 0.0068 0.0344 0.0937
Mycobacterium leprae conserved hypothetical protein 0.0043 0.009 0.5
Echinococcus granulosus GPCR family 2 0.0111 0.0791 0.2152
Loa Loa (eye worm) MH2 domain-containing protein 0.0068 0.0344 0.0344
Loa Loa (eye worm) MH1 domain-containing protein 0.0068 0.0344 0.0344
Entamoeba histolytica hypothetical protein 0.0043 0.009 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.009 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0351 0.328 0.328
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.009 0.0245
Schistosoma mansoni tar DNA-binding protein 0.0388 0.3674 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0997 1 1
Schistosoma mansoni tar DNA-binding protein 0.0388 0.3674 1
Brugia malayi beta-lactamase family protein 0.0043 0.009 0.009
Brugia malayi MH1 domain containing protein 0.0068 0.0344 0.0344
Leishmania major hypothetical protein, conserved 0.0043 0.009 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 7.3078 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) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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
Plasmodium falciparum 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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