Detailed information for compound 1400182
Basic information
Technical information
- TDR Targets ID: 1400182
- Name: N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2- oxoethyl]-2-(1-oxoisoquinolin-2-yl)acetamide
- MW: 385.414 | Formula: C20H23N3O5
-
H donors: 1
H acceptors: 3
LogP: 0.34
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Cn1ccc2c(c1=O)cccc2)NCC(=O)N1CCC2(CC1)OCCO2
- InChi: 1S/C20H23N3O5/c24-17(14-23-8-5-15-3-1-2-4-16(15)19(23)26)21-13-18(25)22-9-6-20(7-10-22)27-11-12-28-20/h1-5,8H,6-7,9-14H2,(H,21,24)
- InChiKey: IMIINWMSICYQIT-UHFFFAOYSA-N
Network
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Synonyms
- N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]-2-(1-oxo-2-isoquinolyl)acetamide
- N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(1-oxo-2-isoquinolyl)acetamide
- N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-keto-ethyl]-2-(1-keto-2-isoquinolyl)acetamide
- N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxo-ethyl]-2-(1-oxoisoquinolin-2-yl)ethanamide
- MLS000730013
- SMR000308290
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Echinococcus multilocularis | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Echinococcus granulosus | survival motor neuron protein 1 | Get druggable targets OG5_132873 | All targets in OG5_132873 |
| Brugia malayi | hypothetical protein | Get druggable targets OG5_132873 | All targets in OG5_132873 |
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 |
|---|---|---|---|---|
| Toxoplasma gondii | ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein | 0.1365 | 0.3501 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.005 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 14.1254 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 29.0929 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) | = 100 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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.
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: CHEMBL1521748
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.