Detailed information for compound 506530

Basic information

Technical information
  • TDR Targets ID: 506530
  • Name: 6-(2-methoxyphenyl)-3-(2-methylphenyl)-7H-[1, 2,4]triazolo[3,4-b][1,3,4]thiadiazine
  • MW: 336.411 | Formula: C18H16N4OS
  • H donors: 0 H acceptors: 2 LogP: 3.92 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C1=Nn2c(SC1)nnc2c1ccccc1C
  • InChi: 1S/C18H16N4OS/c1-12-7-3-4-8-13(12)17-19-20-18-22(17)21-15(11-24-18)14-9-5-6-10-16(14)23-2/h3-10H,11H2,1-2H3
  • InChiKey: ZUFXUEFAILHRHB-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-(2-methoxyphenyl)-3-(o-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
  • NCGC00165304-02
  • NCGC00165304-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.1463 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0914 0.4422
Entamoeba histolytica recQ family helicase, putative 0.0013 0.1463 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.2068 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0914 0.4422
Loa Loa (eye worm) RecQ helicase 0.0024 0.3567 1
Trichomonas vaginalis DNA helicase recq, putative 0.0024 0.3567 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.1463 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.0024 0.3567 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0016 0.2104 0.5
Schistosoma mansoni DNA helicase recq1 0.001 0.0914 0.0914
Echinococcus multilocularis bloom syndrome protein 0.0024 0.3567 1
Schistosoma mansoni DNA helicase recq5 0.001 0.0914 0.0914
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0021 0.3019 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.2617 0.2617
Brugia malayi Bloom's syndrome protein homolog 0.0024 0.3567 1
Echinococcus granulosus bloom syndrome protein 0.0024 0.3567 1
Giardia lamblia Sgs1 DNA helicase, putative 0.001 0.0914 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.2653 0.6553
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0013 0.1463 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 14.1 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697
IC50 (binding) = 14.1 mM Inhibition of human PDE4A1A by IMAP technology ChEMBL. 18243697
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) 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 (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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

1 literature reference was collected for this gene.

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