Detailed information for compound 1456808
Basic information
Technical information
- TDR Targets ID: 1456808
- Name: N-(cyclooctylideneamino)-2-[(4-methoxyphenyl) -methylsulfonylamino]propanamide
- MW: 395.516 | Formula: C19H29N3O4S
-
H donors: 1
H acceptors: 3
LogP: 3.06
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1)N(S(=O)(=O)C)C(C(=O)NN=C1CCCCCCC1)C
- InChi: 1S/C19H29N3O4S/c1-15(19(23)21-20-16-9-7-5-4-6-8-10-16)22(27(3,24)25)17-11-13-18(26-2)14-12-17/h11-15H,4-10H2,1-3H3,(H,21,23)
- InChiKey: RHTHFJHPYUVKQS-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(cyclooctylideneamino)-2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanamide
- N-(cyclooctylideneamino)-2-[mesyl-(4-methoxyphenyl)amino]propionamide
- MLS000681677
- SMR000312721
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | muscleblind-like splicing regulator 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Brugia malayi | Muscleblind-like protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Echinococcus granulosus | muscleblind protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Echinococcus multilocularis | muscleblind protein | Get druggable targets OG5_132352 | All targets in OG5_132352 |
| Echinococcus multilocularis | muscleblind protein 1 | Get druggable targets OG5_132352 | All targets in OG5_132352 |
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 | tar DNA-binding protein | 0.0071 | 0.3275 | 1 |
| Leishmania major | hypothetical protein, conserved | 0.0027 | 0.0578 | 0.5 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.3275 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.3275 | 1 |
| Brugia malayi | RNA binding protein | 0.0071 | 0.3275 | 0.3275 |
| Echinococcus multilocularis | muscleblind protein 1 | 0.018 | 1 | 1 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0071 | 0.3275 | 0.3275 |
| Brugia malayi | GTP-binding regulatory protein Gs alpha-S chain, putative | 0.0048 | 0.1908 | 0.1908 |
| Echinococcus granulosus | tar DNA binding protein | 0.0071 | 0.3275 | 0.1689 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 1 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0071 | 0.3275 | 0.2862 |
| Loa Loa (eye worm) | hypothetical protein | 0.018 | 1 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0027 | 0.0578 | 0.5 |
| Brugia malayi | TAR-binding protein | 0.0071 | 0.3275 | 0.3275 |
| Brugia malayi | hypothetical protein | 0.0027 | 0.0578 | 0.0578 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.3275 | 1 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.0027 | 0.0578 | 0.5 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.0027 | 0.0578 | 0.5 |
| Loa Loa (eye worm) | GTP-binding regulatory protein Gs alpha-S chain | 0.0048 | 0.1908 | 0.1411 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0071 | 0.3275 | 0.2862 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.0027 | 0.0578 | 0.5 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0027 | 0.0578 | 0.5 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0027 | 0.0578 | 0.5 |
| Echinococcus multilocularis | muscleblind protein | 0.018 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 0.3275 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0027 | 0.0578 | 0.5 |
| Echinococcus granulosus | muscleblind protein | 0.018 | 1 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0071 | 0.3275 | 0.1689 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0071 | 0.3275 | 0.2862 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (binding) | 0.7943 uM | PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 16.5113 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 26.6795 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Plasmodium falciparum | 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: CHEMBL1613387
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.