Detailed information for compound 1254978
Basic information
Technical information
- TDR Targets ID: 1254978
- Name: N-(2-fluorophenyl)-5-oxo-3-phenylpyrrolidine- 2-carboxamide
- MW: 298.312 | Formula: C17H15FN2O2
-
H donors: 2
H acceptors: 2
LogP: 2.04
Rotable bonds: 4
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1NC(C(C1)c1ccccc1)C(=O)Nc1ccccc1F
- InChi: 1S/C17H15FN2O2/c18-13-8-4-5-9-14(13)19-17(22)16-12(10-15(21)20-16)11-6-2-1-3-7-11/h1-9,12,16H,10H2,(H,19,22)(H,20,21)
- InChiKey: DGLHYLVWMNJVEM-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-(2-fluorophenyl)-5-oxo-3-phenyl-pyrrolidine-2-carboxamide
- N-(2-fluorophenyl)-5-oxo-3-phenyl-2-pyrrolidinecarboxamide
- N-(2-fluorophenyl)-5-keto-3-phenyl-pyrrolidine-2-carboxamide
- MLS000116737
- SMR000093696
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | lamin A/C | Starlite/ChEMBL | No references |
| Homo sapiens | APEX nuclease (multifunctional DNA repair enzyme) 1 | 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 |
|---|---|---|---|---|
| Echinococcus granulosus | DNA apurinic or apyrimidinic site lyase | 0.0023 | 0.4151 | 0.4151 |
| Mycobacterium ulcerans | exodeoxyribonuclease III protein XthA | 0.0023 | 0.4151 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 1 | 1 |
| Toxoplasma gondii | exonuclease III APE | 0.0023 | 0.4151 | 0.5 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 1 | 1 |
| Entamoeba histolytica | exodeoxyribonuclease III, putative | 0.0023 | 0.4151 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 1 | 1 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 1 | 1 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 1 | 1 |
| Wolbachia endosymbiont of Brugia malayi | exonuclease III | 0.0023 | 0.4151 | 0.5 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease | 0.0023 | 0.4151 | 0.5 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.4151 | 0.5 |
| Schistosoma mansoni | intermediate filament proteins | 0.0033 | 1 | 1 |
| Leishmania major | apurinic/apyrimidinic endonuclease-redox protein | 0.0023 | 0.4151 | 0.5 |
| Mycobacterium tuberculosis | Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) | 0.0023 | 0.4151 | 0.5 |
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 1 | 1 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | exodeoxyribonuclease III family protein | 0.0023 | 0.4151 | 0.4151 |
| Onchocerca volvulus | 0.0033 | 1 | 0.5 | |
| Plasmodium falciparum | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.4151 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.9646 | 0.9646 |
| Echinococcus multilocularis | lamin | 0.0033 | 1 | 1 |
| Giardia lamblia | Endonuclease/Exonuclease/phosphatase | 0.0023 | 0.4151 | 0.5 |
| Brugia malayi | exodeoxyribonuclease III family protein | 0.0023 | 0.4151 | 0.3482 |
| Trypanosoma brucei | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.4151 | 0.5 |
| Trichomonas vaginalis | ap endonuclease, putative | 0.0023 | 0.4151 | 0.5 |
| Trypanosoma cruzi | apurinic/apyrimidinic endonuclease, putative | 0.0023 | 0.4151 | 0.5 |
| Plasmodium vivax | AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative | 0.0023 | 0.4151 | 0.5 |
| Schistosoma mansoni | lamin | 0.0033 | 1 | 1 |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.1026 | 0.1026 |
| Echinococcus multilocularis | DNA (apurinic or apyrimidinic site) lyase | 0.0023 | 0.4151 | 0.4151 |
| Echinococcus multilocularis | musashi | 0.0033 | 1 | 1 |
| Treponema pallidum | exodeoxyribonuclease (exoA) | 0.0023 | 0.4151 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | = 1.4125 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 7.0795 uM | PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] | ChEMBL. | No reference |
| Potency (functional) | 50.1187 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) | 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 |
| Potency (functional) | 112.2018 uM | PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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: CHEMBL1319586
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.