Detailed information for compound 1378411

Basic information

Technical information
  • TDR Targets ID: 1378411
  • Name: 3,4-diethoxy-N-[3-(tetrazol-1-yl)phenyl]benza mide
  • MW: 353.375 | Formula: C18H19N5O3
  • H donors: 1 H acceptors: 4 LogP: 2.73 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(ccc1OCC)C(=O)Nc1cccc(c1)n1cnnn1
  • InChi: 1S/C18H19N5O3/c1-3-25-16-9-8-13(10-17(16)26-4-2)18(24)20-14-6-5-7-15(11-14)23-12-19-21-22-23/h5-12H,3-4H2,1-2H3,(H,20,24)
  • InChiKey: SXYJNSXYTFOEBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3,4-diethoxy-N-[3-(1-tetrazolyl)phenyl]benzamide
  • 3,4-diethoxy-N-[3-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide
  • ZINC05451765

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0916 0.9316 0.929
Plasmodium falciparum plasmepsin II 0.0095 0.0379 0.5
Schistosoma mansoni peptidylglycine monooxygenase 0.0487 0.4641 0.4769
Schistosoma mansoni cathepsin D (A01 family) 0.028 0.2393 0.2253
Schistosoma mansoni dopamine-beta-monooxygenase 0.0487 0.4641 0.4769
Plasmodium falciparum plasmepsin I 0.0095 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0095 0.0379 0.0406
Echinococcus granulosus tm gpcr rhodopsin 0.0517 0.4971 0.5138
Plasmodium vivax aspartyl proteinase, putative 0.0095 0.0379 0.5
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0916 0.9316 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0095 0.0379 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0487 0.4641 0.4981
Plasmodium vivax plasmepsin IV, putative 0.0095 0.0379 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.024 0.1953 0.2097
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0916 0.9316 1
Loa Loa (eye worm) hypothetical protein 0.0916 0.9316 1
Plasmodium falciparum plasmepsin VI 0.0095 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.0487 0.4641 0.4981
Toxoplasma gondii aspartyl protease ASP1 0.0095 0.0379 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0517 0.4971 0.4773
Plasmodium falciparum plasmepsin IV 0.0095 0.0379 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0247 0.2032 0.2182
Schistosoma mansoni cathepsin D (A01 family) 0.028 0.2393 0.2253
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0095 0.0379 0.0406
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0916 0.9316 1
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0095 0.0379 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 15.8489 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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