Detailed information for compound 1383751
Basic information
Technical information
- TDR Targets ID: 1383751
- Name: (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-methyl-3 -phenylprop-2-en-1-one
- MW: 259.343 | Formula: C16H21NO2
-
H donors: 0
H acceptors: 1
LogP: 2.67
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: CC1OC(C)CN(C1)C(=O)/C(=C\c1ccccc1)/C
- InChi: 1S/C16H21NO2/c1-12(9-15-7-5-4-6-8-15)16(18)17-10-13(2)19-14(3)11-17/h4-9,13-14H,10-11H2,1-3H3/b12-9-
- InChiKey: AENUGOFXOJIYDD-XFXZXTDPSA-N
Network
Hover on a compound node to display the structore
Synonyms
- (Z)-1-(2,6-dimethylmorpholin-4-yl)-2-methyl-3-phenyl-prop-2-en-1-one
- (Z)-1-(2,6-dimethyl-4-morpholinyl)-2-methyl-3-phenylprop-2-en-1-one
- 2,6-dimethyl-4-(2-methyl-3-phenylacryloyl)morpholine
- MLS000663799
- SMR000292323
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | No references |
| Homo sapiens | pyruvate kinase, muscle | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
| Echinococcus granulosus | pyruvate kinase | pyruvate kinase, muscle | 605 aa | 521 aa | 34.9 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.004 | 0.4799 | 0.3645 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Giardia lamblia | Pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.4799 | 0.3645 |
| Mycobacterium tuberculosis | Probable pyruvate kinase PykA | 0.004 | 0.4799 | 0.5 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Echinococcus multilocularis | pyruvate kinase | 0.0032 | 0.2722 | 0.2722 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.4799 | 0.5 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 1 | 1 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.4799 | 0.5 |
| Entamoeba histolytica | pyruvate kinase, putative | 0.0028 | 0.1816 | 0.5 |
| Schistosoma mansoni | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.4799 | 0.3645 |
| Echinococcus granulosus | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Plasmodium falciparum | pyruvate kinase | 0.004 | 0.4799 | 1 |
| Mycobacterium leprae | Probable pyruvate kinase PykA | 0.004 | 0.4799 | 0.5 |
| Mycobacterium ulcerans | pyruvate kinase | 0.004 | 0.4799 | 0.5 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 1 | 1 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 1 | 1 |
| Toxoplasma gondii | pyruvate kinase PyK1 | 0.004 | 0.4799 | 0.4799 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Chlamydia trachomatis | pyruvate kinase | 0.004 | 0.4799 | 0.5 |
| Onchocerca volvulus | Pyruvate kinase homolog | 0.004 | 0.4799 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | pyruvate kinase | 0.004 | 0.4799 | 0.3645 |
| Plasmodium vivax | pyruvate kinase, putative | 0.004 | 0.4799 | 1 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | pyruvate kinase | 0.004 | 0.4799 | 0.4799 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 4.4668 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] | ChEMBL. | No reference |
| Potency (functional) | 89.1251 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
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: CHEMBL1537869
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.