Detailed information for compound 712817
Basic information
Technical information
- TDR Targets ID: 712817
- Name: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-p rop-2-enylfuran-2-carboxamide
- MW: 309.319 | Formula: C17H15N3O3
-
H donors: 0
H acceptors: 3
LogP: 2.83
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: C=CCN(C(=O)c1ccco1)Cc1onc(n1)c1ccccc1
- InChi: 1S/C17H15N3O3/c1-2-10-20(17(21)14-9-6-11-22-14)12-15-18-16(19-23-15)13-7-4-3-5-8-13/h2-9,11H,1,10,12H2
- InChiKey: CZZGGBHZFZBMKC-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-allyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]furan-2-carboxamide
- N-allyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-furancarboxamide
- N-allyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-furamide
- N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enyl-furan-2-carboxamide
- Furan-2-carboxylic acid allyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amide
- ZINC04513092
- BAS 13320257
- STOCK6S-12123
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | Starlite/ChEMBL | No references |
| Mus musculus | RAR-related orphan receptor gamma | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
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 |
|---|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | 0.0038 | 0.3848 | 0.3848 |
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.0955 | 0.0955 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 1 | 1 |
| Loa Loa (eye worm) | RNA binding protein | 0.0071 | 1 | 1 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.0955 | 0.0955 |
| Brugia malayi | RNA recognition motif domain containing protein | 0.0071 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0056 | 0.7163 | 0.7163 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.0056 | 0.7163 | 0.7163 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.0955 | 0.0955 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0028 | 0.1983 | 1 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0023 | 0.0955 | 0.5 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.0955 | 0.5 |
| Toxoplasma gondii | LsmAD domain-containing protein | 0.0028 | 0.1983 | 1 |
| Brugia malayi | hypothetical protein | 0.0028 | 0.1983 | 0.1983 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0028 | 0.1983 | 1 |
| Trypanosoma cruzi | PAB1-binding protein , putative | 0.0028 | 0.1983 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 1 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0955 | 0.0955 |
| Schistosoma mansoni | hypothetical protein | 0.0038 | 0.3848 | 0.3848 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0023 | 0.0955 | 0.5 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0955 | 0.5 |
| Loa Loa (eye worm) | TAR-binding protein | 0.0071 | 1 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.0955 | 0.0955 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.0955 | 0.5 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0023 | 0.0955 | 0.5 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0038 | 0.3848 | 0.3848 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.0056 | 0.7163 | 0.7163 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 1 | 1 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0023 | 0.0955 | 0.5 |
| Loa Loa (eye worm) | RNA recognition domain-containing protein domain-containing protein | 0.0071 | 1 | 1 |
| Echinococcus granulosus | tar DNA binding protein | 0.0071 | 1 | 1 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 1 | 1 |
| Schistosoma mansoni | ap endonuclease | 0.0023 | 0.0955 | 0.0955 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.0056 | 0.7163 | 0.7163 |
| Schistosoma mansoni | tar DNA-binding protein | 0.0071 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0028 | 0.1983 | 0.1983 |
| Brugia malayi | TAR-binding protein | 0.0071 | 1 | 1 |
| Trypanosoma brucei | PAB1-binding protein , putative | 0.0028 | 0.1983 | 1 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.0955 | 0.5 |
| Leishmania major | hypothetical protein, conserved | 0.0028 | 0.1983 | 1 |
| Echinococcus multilocularis | tar DNA binding protein | 0.0071 | 1 | 1 |
| Plasmodium vivax | ataxin-2 like protein, putative | 0.0028 | 0.1983 | 1 |
| Plasmodium falciparum | ataxin-2 like protein, putative | 0.0028 | 0.1983 | 1 |
| Brugia malayi | hypothetical protein | 0.0018 | 0.0105 | 0.0105 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 0.1889 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 1.7783 um | PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 50.1187 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | 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: CHEMBL1517497
- Search by Saint Jude
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.