Detailed information for compound 1372977

Basic information

Technical information
  • TDR Targets ID: 1372977
  • Name: 5-(3,5-dimethoxyphenyl)-2H-tetrazole
  • MW: 206.201 | Formula: C9H10N4O2
  • H donors: 1 H acceptors: 3 LogP: 1.08 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)c1n[nH]nn1
  • InChi: 1S/C9H10N4O2/c1-14-7-3-6(4-8(5-7)15-2)9-10-12-13-11-9/h3-5H,1-2H3,(H,10,11,12,13)
  • InChiKey: HBLRYIWISYSEGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(3,5-dimethoxyphenyl)-2H-1,2,3,4-tetrazole
  • Oprea1_448482
  • AO-289/15480030
  • 5-(3,5-dimethoxyphenyl)-2H-tetraazole
  • MLS000702522
  • SMR000229459

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0226 0.5789 1
Schistosoma mansoni hypothetical protein 0.0205 0.5053 0.8728
Onchocerca volvulus 0.0182 0.4287 1
Schistosoma mansoni lipoxygenase 0.0121 0.2146 0.3708
Schistosoma mansoni lipoxygenase 0.0226 0.5789 1
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0071 0.0123
Schistosoma mansoni hypothetical protein 0.0205 0.5053 0.8728
Echinococcus multilocularis geminin 0.0205 0.5053 0.8728
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0071 0.0123
Brugia malayi follicle stimulating hormone receptor 0.0229 0.5901 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.5901 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.4287 0.7265
Plasmodium falciparum LCCL domain-containing protein 0.0059 0 0.5
Mycobacterium ulcerans ATP phosphoribosyltransferase 0.0348 1 1
Mycobacterium tuberculosis ATP phosphoribosyltransferase HisG 0.0348 1 1
Brugia malayi hypothetical protein 0.0182 0.4287 0.7265
Plasmodium vivax multidomain scavenger receptor, putative 0.0059 0 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0071 0.5
Echinococcus granulosus geminin 0.0205 0.5053 0.8728
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0226 0.5789 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0071 0.0123
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0071 0.0121

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 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) = 50.1187 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) 89.1251 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

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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