Detailed information for compound 1461013
Basic information
Technical information
- TDR Targets ID: 1461013
- Name: 1-morpholin-4-yl-2-[1-[2-(phenoxy)ethyl]indol -3-yl]ethane-1,2-dione
- MW: 378.421 | Formula: C22H22N2O4
-
H donors: 0
H acceptors: 2
LogP: 2.57
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(C(=O)c1cn(c2c1cccc2)CCOc1ccccc1)N1CCOCC1
- InChi: 1S/C22H22N2O4/c25-21(22(26)23-10-13-27-14-11-23)19-16-24(20-9-5-4-8-18(19)20)12-15-28-17-6-2-1-3-7-17/h1-9,16H,10-15H2
- InChiKey: MKHOMPOGBOKQGD-UHFFFAOYSA-N
Network
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Synonyms
- 1-morpholino-2-[1-[2-(phenoxy)ethyl]indol-3-yl]ethane-1,2-dione
- 1-morpholino-2-[1-[2-(phenoxy)ethyl]-3-indolyl]ethane-1,2-dione
- 2-(4-morpholinyl)-2-oxo-1-[1-(2-phenoxyethyl)-1H-indol-3-yl]ethanone
- MLS000664794
- SMR000296268
- ZINC02877368
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
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 cruzi | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Onchocerca volvulus | 0.0216 | 0.1487 | 0.5 | |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Mycobacterium tuberculosis | Carboxylesterase LipT | 0.0216 | 0.1487 | 0.5 |
| Onchocerca volvulus | 0.0216 | 0.1487 | 0.5 | |
| Loa Loa (eye worm) | carboxylesterase | 0.0216 | 0.1487 | 0.1487 |
| Schistosoma mansoni | family S9 non-peptidase homologue (S09 family) | 0.1279 | 1 | 1 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.003 | 0 | 0.5 |
| Echinococcus multilocularis | acetylcholinesterase | 0.1279 | 1 | 1 |
| Echinococcus granulosus | carboxylesterase 5A | 0.1279 | 1 | 1 |
| Trichomonas vaginalis | spcc417.12 protein, putative | 0.0216 | 0.1487 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Leishmania major | hypothetical protein, conserved | 0.003 | 0 | 0.5 |
| Brugia malayi | Carboxylesterase family protein | 0.0216 | 0.1487 | 0.1487 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Loa Loa (eye worm) | hypothetical protein | 0.1279 | 1 | 1 |
| Trichomonas vaginalis | carboxylesterase domain containing protein, putative | 0.0216 | 0.1487 | 0.5 |
| Brugia malayi | Carboxylesterase family protein | 0.1279 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Mycobacterium ulcerans | carboxylesterase, LipT | 0.0216 | 0.1487 | 0.5 |
| Onchocerca volvulus | 0.0216 | 0.1487 | 0.5 | |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Brugia malayi | Carboxylesterase family protein | 0.0216 | 0.1487 | 0.1487 |
| Brugia malayi | Carboxylesterase family protein | 0.0216 | 0.1487 | 0.1487 |
| Echinococcus multilocularis | carboxylesterase 5A | 0.1279 | 1 | 1 |
| Loa Loa (eye worm) | carboxylesterase | 0.0216 | 0.1487 | 0.1487 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Brugia malayi | Carboxylesterase family protein | 0.0216 | 0.1487 | 0.1487 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Onchocerca volvulus | 0.0216 | 0.1487 | 0.5 | |
| Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0216 | 0.1487 | 0.5 |
| Loa Loa (eye worm) | acetylcholinesterase 1 | 0.1279 | 1 | 1 |
| Mycobacterium tuberculosis | POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) | 0.0216 | 0.1487 | 0.5 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.003 | 0 | 0.5 |
| Echinococcus multilocularis | acetylcholinesterase | 0.1279 | 1 | 1 |
| Onchocerca volvulus | 0.0216 | 0.1487 | 0.5 | |
| Echinococcus granulosus | acetylcholinesterase | 0.1279 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Loa Loa (eye worm) | hypothetical protein | 0.0216 | 0.1487 | 0.1487 |
| Echinococcus granulosus | acetylcholinesterase | 0.1279 | 1 | 1 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.003 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.1279 | 1 | 1 |
| Loa Loa (eye worm) | carboxylesterase | 0.1279 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.3115 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) | 10 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 89.1251 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 100 uM | PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] | 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: CHEMBL1451490
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.