Detailed information for compound 1335004

Basic information

Technical information
  • TDR Targets ID: 1335004
  • Name: N-(2-dimethylaminoethyl)-N-(4-methyl-1,3-benz othiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-7 -carboxamide
  • MW: 397.491 | Formula: C21H23N3O3S
  • H donors: 0 H acceptors: 2 LogP: 3.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCN(C(=O)c1ccc2c(c1)OCCO2)c1sc2c(n1)c(C)ccc2)C
  • InChi: 1S/C21H23N3O3S/c1-14-5-4-6-18-19(14)22-21(28-18)24(10-9-23(2)3)20(25)15-7-8-16-17(13-15)27-12-11-26-16/h4-8,13H,9-12H2,1-3H3
  • InChiKey: PAVGXWFYKIAEFZ-UHFFFAOYSA-N  

Network

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Synonyms

  • G786-0386
  • NCGC00134218-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723

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
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0006 0.0006
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0056 0.0056
Loa Loa (eye worm) hypothetical protein 0.0019 0.0006 0.0006
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0006 0.0006
Echinococcus granulosus lamin 0.0033 0.0056 0.005
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0006 0.0006
Echinococcus multilocularis lamin 0.0033 0.0056 0.005
Echinococcus multilocularis musashi 0.0033 0.0056 0.005
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0157 0.0157
Echinococcus granulosus MAP kinase activated protein kinase 2 0.2735 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0157 0.0157
Onchocerca volvulus 0.0033 0.0056 0.5
Schistosoma mansoni lamin 0.0033 0.0056 0.005
Schistosoma mansoni hypothetical protein 0.0041 0.0087 0.0081
Brugia malayi intermediate filament protein 0.0033 0.0056 0.0056
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0157 0.0157
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0087 0.0087
Schistosoma mansoni serine/threonine protein kinase 0.2735 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0056 0.0056
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0056 0.0056
Onchocerca volvulus 0.0033 0.0056 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0056 0.005
Loa Loa (eye worm) hypothetical protein 0.0041 0.0087 0.0087
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.2735 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0053 0.0053
Schistosoma mansoni intermediate filament proteins 0.0033 0.0056 0.005
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.2735 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0157 0.0157
Echinococcus granulosus lamin dm0 0.0033 0.0056 0.005
Schistosoma mansoni lamin 0.0033 0.0056 0.005
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0056 0.0056
Echinococcus granulosus intermediate filament protein 0.0033 0.0056 0.005

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1585 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 39.8107 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 (binding) = 50.1187 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
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 to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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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