Detailed information for compound 1221032

Basic information

Technical information
  • TDR Targets ID: 1221032
  • Name: N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
  • MW: 203.201 | Formula: C9H9N5O
  • H donors: 2 H acceptors: 4 LogP: 0.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1cccc(c1)c1nn[nH]n1
  • InChi: 1S/C9H9N5O/c1-6(15)10-8-4-2-3-7(5-8)9-11-13-14-12-9/h2-5H,1H3,(H,10,15)(H,11,12,13,14)
  • InChiKey: NWLOCYNIBLCCCR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
  • 73096-37-4
  • MLS000541237
  • N-[3-(1H-1,2,3,4-tetraazol-5-yl)phenyl]acetamide
  • SMR000126095
  • 4-26-00-03758 (Beilstein Handbook Reference)
  • Acetalinide, 3-(1H-tetrazol-5-yl)-
  • Acetamide, N-(3-(1H-tetrazol-5-yl)phenyl)-
  • BRN 0200442
  • MTAA
  • N-(3-(1H-Tetrazol-5-yl)phenyl)acetamide
  • Oprea1_285658
  • 5R-0049

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0315 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1269 0.4286
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2603 0.2603
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.296 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1958 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1958 1
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0315 0.0315
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0088 0.0297
Loa Loa (eye worm) hypothetical protein 0.0028 0.0553 0.1869
Brugia malayi hypothetical protein 0.0028 0.0553 0.1869
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.161
Schistosoma mansoni hypothetical protein 0.0019 0.0088 0.0088
Echinococcus multilocularis dna polymerase eta 0.0054 0.1958 0.1958
Loa Loa (eye worm) carboxylesterase 0.0066 0.2603 0.8794
Schistosoma mansoni hypothetical protein 0.0205 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0315 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0088 0.0088
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0553 0.5031
Loa Loa (eye worm) RNA binding protein 0.0073 0.296 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0553 0.2826
Schistosoma mansoni hypothetical protein 0.0019 0.0088 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Leishmania major hypothetical protein, conserved 0.0028 0.0553 0.2826
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0315 0.5
Loa Loa (eye worm) TAR-binding protein 0.0073 0.296 1
Schistosoma mansoni hypothetical protein 0.0019 0.0088 0.0088
Leishmania major DNA polymerase kappa, putative 0.0023 0.0315 0.161
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.2603 0.8794
Brugia malayi hypothetical protein 0.0018 0.0028 0.0094
Loa Loa (eye worm) hypothetical protein 0.0019 0.0088 0.0297
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2286 0.7722
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.161
Loa Loa (eye worm) hypothetical protein 0.0066 0.2603 0.8794
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0315 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0315 0.0315
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.2603 0.2603
Echinococcus multilocularis GPCR, family 2 0.0019 0.0088 0.0088
Echinococcus multilocularis tar DNA binding protein 0.0073 0.296 0.296
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0315 0.0315
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.296 1
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1958 0.6616
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0315 0.161
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0315 0.1065
Trypanosoma brucei unspecified product 0.0023 0.0315 0.161
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0553 0.2826
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0315 0.5
Echinococcus granulosus acetylcholinesterase 0.0066 0.2603 0.2603
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus granulosus carboxylesterase 5A 0.0066 0.2603 0.2603
Brugia malayi RNA binding protein 0.0073 0.296 1
Brugia malayi Carboxylesterase family protein 0.0066 0.2603 0.8794
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.11 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0315 0.161
Schistosoma mansoni hypothetical protein 0.0019 0.0088 0.0088
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.11 0.5617
Brugia malayi TAR-binding protein 0.0073 0.296 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0553 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0315 0.0315
Schistosoma mansoni tar DNA-binding protein 0.0073 0.296 0.296
Leishmania major DNA polymerase eta, putative 0.0054 0.1958 1
Echinococcus granulosus tar DNA binding protein 0.0073 0.296 0.296
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0315 0.0315
Echinococcus granulosus acetylcholinesterase 0.0066 0.2603 0.2603
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Schistosoma mansoni hypothetical protein 0.0041 0.1269 0.1269
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0315 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0315 0.161
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0088 0.0088
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0315 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.2286 0.7722
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0088 0.0297
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0315 0.161
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0088 0.0297
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2286 0.7722
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0553 0.2826
Schistosoma mansoni tar DNA-binding protein 0.0073 0.296 0.296
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Brugia malayi Carboxylesterase family protein 0.0066 0.2603 0.8794
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0553 1
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0553 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0041 0.1269 0.4286
Loa Loa (eye worm) hypothetical protein 0.0066 0.2603 0.8794
Echinococcus granulosus GPCR family 2 0.0019 0.0088 0.0088
Schistosoma mansoni tar DNA-binding protein 0.0073 0.296 0.296
Schistosoma mansoni DNA polymerase eta 0.0054 0.1958 0.1958
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0315 0.1065
Echinococcus multilocularis acetylcholinesterase 0.0066 0.2603 0.2603
Schistosoma mansoni tar DNA-binding protein 0.0073 0.296 0.296
Echinococcus granulosus dna polymerase eta 0.0054 0.1958 0.1958
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0315 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2286 0.7722
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0315 0.161
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.2603 0.2603
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni tar DNA-binding protein 0.0073 0.296 0.296
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0088 0.0088
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0315 0.161
Leishmania major DNA polymerase eta, putative 0.0038 0.11 0.5617
Loa Loa (eye worm) hypothetical protein 0.0054 0.1958 0.6616
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0315 0.161
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0315 0.0315

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0731 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 22.3872 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 (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 56.2341 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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