Detailed information for compound 1354341
Basic information
Technical information
- TDR Targets ID: 1354341
- Name: 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-y l]-N-methylpropanamide
- MW: 319.356 | Formula: C16H21N3O4
-
H donors: 1
H acceptors: 3
LogP: 2.02
Rotable bonds: 9
Rule of 5 violations (Lipinski): 1 - SMILES: CCOc1cc(ccc1OCC)c1noc(n1)CCC(=O)NC
- InChi: 1S/C16H21N3O4/c1-4-21-12-7-6-11(10-13(12)22-5-2)16-18-15(23-19-16)9-8-14(20)17-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,17,20)
- InChiKey: FWMINISLGOOANP-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-propanamide
- 3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-propionamide
- MLS000084388
- SMR000047998
- ZINC02237198
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 | polymerase (DNA directed), eta | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | 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 % |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | glucagon-like peptide 1 receptor | 463 aa | 388 aa | 25.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0038 | 0.3843 | 0.3843 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.9651 | 0.9651 |
| Echinococcus granulosus | dna polymerase eta | 0.0054 | 0.8047 | 0.8047 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0062 | 1 | 1 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0062 | 1 | 1 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0062 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Entamoeba histolytica | deoxycytidyl transferase, putative | 0.0023 | 0 | 0.5 |
| Leishmania major | DNA polymerase eta, putative | 0.0038 | 0.3843 | 0.3843 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0062 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.4669 | 0.4669 |
| Trypanosoma brucei | protein kinase, putative | 0.0062 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.9651 | 0.9651 |
| Mycobacterium tuberculosis | Conserved hypothetical protein | 0.0023 | 0 | 0.5 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Brugia malayi | ImpB/MucB/SamB family protein | 0.0054 | 0.8047 | 0.8047 |
| Echinococcus multilocularis | dna polymerase eta | 0.0054 | 0.8047 | 0.8047 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.4669 | 0.4669 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0062 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Mycobacterium tuberculosis | Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) | 0.0023 | 0 | 0.5 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0062 | 1 | 1 |
| Trypanosoma cruzi | DNA polymerase eta, putative | 0.0054 | 0.8047 | 0.8047 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.9651 | 0.9651 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0062 | 1 | 1 |
| Trypanosoma brucei | DNA polymerase eta, putative | 0.0054 | 0.8047 | 0.8047 |
| Schistosoma mansoni | DNA polymerase eta | 0.0054 | 0.8047 | 0.8047 |
| Leishmania major | DNA polymerase eta, putative | 0.0054 | 0.8047 | 0.8047 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0054 | 0.8047 | 0.8047 |
| Mycobacterium ulcerans | DNA polymerase IV | 0.0023 | 0 | 0.5 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0062 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.4669 | 0.4669 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.9651 | 0.9651 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 0.1259 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.6234 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.0795 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] | 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 |
| Potency (functional) | = 100 um | PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] | 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: CHEMBL1463921
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.