Detailed information for compound 1515528

Basic information

Technical information
  • TDR Targets ID: 1515528
  • Name: 4-piperidin-1-yl-1-[4-(tetrazol-1-yl)benzoyl] piperidine-4-carboxamide
  • MW: 383.448 | Formula: C19H25N7O2
  • H donors: 1 H acceptors: 5 LogP: 0.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1(CCN(CC1)C(=O)c1ccc(cc1)n1cnnn1)N1CCCCC1
  • InChi: 1S/C19H25N7O2/c20-18(28)19(25-10-2-1-3-11-25)8-12-24(13-9-19)17(27)15-4-6-16(7-5-15)26-14-21-22-23-26/h4-7,14H,1-3,8-13H2,(H2,20,28)
  • InChiKey: XGUIIADGINTIHJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-piperidyl)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
  • 1-[oxo-[4-(1-tetrazolyl)phenyl]methyl]-4-(1-piperidyl)-4-piperidinecarboxamide
  • 4-piperidino-1-[4-(tetrazol-1-yl)benzoyl]isonipecotamide
  • 4-piperidin-1-yl-1-[4-(1,2,3,4-tetrazol-1-yl)phenyl]carbonyl-piperidine-4-carboxamide
  • A3330/0141383
  • 1'-[4-(1H-tetrazol-1-yl)benzoyl]-1,4'-bipiperidine-4'-carboxamide
  • MLS000044012
  • SMR000021423

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily D, polypeptide 6 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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 cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily D, polypeptide 6 497 aa 425 aa 32.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0266 0.1004 0.1004
Loa Loa (eye worm) glutaminase 0.033 0.1276 0.1276
Echinococcus multilocularis survival motor neuron protein 1 0.0266 0.1004 0.0957
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.0655 0.0655
Trypanosoma brucei glucosidase, putative 0.0041 0.0052 0.0078
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0332 0.1283 0.1916
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0109 0.0109
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.1613 0.6699 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0052 0.0052
Schistosoma mansoni alpha-glucosidase 0.0158 0.0547 0.0497
Onchocerca volvulus 0.0698 0.2829 1
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0655 0.0606
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0052 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0332 0.1283 1
Onchocerca volvulus 0.0106 0.0328 0.0804
Mycobacterium ulcerans thymidylate synthase 0.0698 0.2829 0.1781
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0052 0.0078
Brugia malayi glutaminase DH11.1 0.033 0.1276 0.1276
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0052 0.0078
Schistosoma mansoni hypothetical protein 0.0054 0.0109 0.0058
Echinococcus multilocularis thymidylate synthase 0.0698 0.2829 0.2792
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.1613 0.6699 1
Loa Loa (eye worm) glutaminase 2 0.033 0.1276 0.1276
Schistosoma mansoni survival motor neuron protein 0.0054 0.0109 0.0058
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.1613 0.6699 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0052 0.0078
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.0655 0.0606
Loa Loa (eye worm) thymidylate synthase 0.0698 0.2829 0.2829
Echinococcus granulosus survival motor neuron protein 1 0.0266 0.1004 0.0957
Schistosoma mansoni glutaminase 0.033 0.1276 0.123
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0912 0.3734 0.3701
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0052 0.0052
Brugia malayi hypothetical protein 0.0266 0.1004 0.1004
Trichomonas vaginalis glutaminase, putative 0.033 0.1276 0.9938
Schistosoma mansoni alpha-glucosidase 0.0158 0.0547 0.0497
Echinococcus granulosus thymidylate synthase 0.0698 0.2829 0.2792
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.1613 0.6699 1
Leishmania major dihydrofolate reductase-thymidylate synthase 0.1613 0.6699 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0052 0.0078
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0698 0.2829 0.1774
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.1613 0.6699 1
Brugia malayi thymidylate synthase 0.0698 0.2829 0.2829
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.0655 0.0655
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0052 0.5
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0698 0.2829 0.2792
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.0655 0.0606
Brugia malayi hypothetical protein 0.0332 0.1283 0.1283

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 1.584893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0045 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4147 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.6511 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) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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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