Detailed information for compound 1358598
Basic information
Technical information
- TDR Targets ID: 1358598
- Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[6-[(4 -methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadi azinan-2-yl]acetamide
- MW: 447.505 | Formula: C21H25N3O6S
-
H donors: 1
H acceptors: 3
LogP: 1.64
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)CN1CCCN(S1(=O)=O)CC(=O)Nc1ccc2c(c1)OCCO2
- InChi: 1S/C21H25N3O6S/c1-28-18-6-3-16(4-7-18)14-23-9-2-10-24(31(23,26)27)15-21(25)22-17-5-8-19-20(13-17)30-12-11-29-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,22,25)
- InChiKey: NTMDPDVYFPPWLE-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[1,1-diketo-6-(4-methoxybenzyl)-1,2,6-thiadiazinan-2-yl]acetamide
- N-(2,3-dihydro-1,4-benzodioxin-7-yl)-2-[6-[(4-methoxyphenyl)methyl]-1,1-dioxo-1,2,6-thiadiazinan-2-yl]ethanamide
- G364-0825
- NCGC00130633-01
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | TAR DNA binding protein | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.0228 | 0.9502 | 1 |
| Brugia malayi | RNA binding protein | 0.0076 | 0.2564 | 0.2564 |
| Loa Loa (eye worm) | RNA binding protein | 0.0076 | 0.2564 | 0.2564 |
| Onchocerca volvulus | 0.0234 | 0.9789 | 1 | |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2564 | 0.2698 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0076 | 0.2564 | 0.2564 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0076 | 0.2564 | 0.2564 |
| Brugia malayi | Pax transcription factor protein 2 | 0.0234 | 0.9789 | 0.9789 |
| Loa Loa (eye worm) | pax transcription factor protein 2 | 0.0234 | 0.9789 | 0.9789 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0076 | 0.2564 | 0.2564 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0239 | 1 | 1 |
| Brugia malayi | TAR-binding protein | 0.0076 | 0.2564 | 0.2564 |
| Echinococcus granulosus | tar DNA binding protein | 0.0076 | 0.2564 | 0.2564 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2564 | 0.2698 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2564 | 0.2698 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2564 | 0.2698 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0076 | 0.2564 | 0.2564 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0239 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0239 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0076 | 0.2564 | 0.2698 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 3.5481 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 89.1251 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (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.
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
- ChEMBL: CHEMBL1473870
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.