Detailed information for compound 1348637
Basic information
Technical information
- TDR Targets ID: 1348637
- Name: N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxa diazol-5-yl]propanamide
- MW: 331.385 | Formula: C18H22FN3O2
-
H donors: 1
H acceptors: 3
LogP: 3.8
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(NC1CCCCCC1)CCc1onc(n1)c1ccccc1F
- InChi: 1S/C18H22FN3O2/c19-15-10-6-5-9-14(15)18-21-17(24-22-18)12-11-16(23)20-13-7-3-1-2-4-8-13/h5-6,9-10,13H,1-4,7-8,11-12H2,(H,20,23)
- InChiKey: ONHQGFMYIYCMSX-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-cycloheptyl-3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propionamide
- SMR000025723
- MLS000091161
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
| Homo sapiens | lamin A/C | 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 |
|---|---|---|---|---|---|
| Plasmodium falciparum | ubiquitin specific protease, putative | ubiquitin specific peptidase 2 | 362 aa | 378 aa | 25.7 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Loa Loa (eye worm) | intermediate filament protein | 0.0033 | 0.5822 | 0.5822 |
| Onchocerca volvulus | 0.0033 | 0.5822 | 0.5 | |
| Brugia malayi | intermediate filament protein | 0.0033 | 0.5822 | 0.5557 |
| Echinococcus granulosus | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 1 | 1 |
| Brugia malayi | Intermediate filament tail domain containing protein | 0.0033 | 0.5822 | 0.5557 |
| Echinococcus multilocularis | Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 1 | 1 |
| Echinococcus granulosus | lamin | 0.0033 | 0.5822 | 0.5822 |
| Giardia lamblia | Ubiquitin carboxyl-terminal hydrolase 4 | 0.0045 | 1 | 0.5 |
| Echinococcus granulosus | Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 | 0.0045 | 1 | 1 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0045 | 1 | 1 |
| Entamoeba histolytica | ubiquitin carboxyl-terminal hydrolase domain containing protein | 0.0045 | 1 | 0.5 |
| Echinococcus granulosus | lamin dm0 | 0.0033 | 0.5822 | 0.5822 |
| Echinococcus multilocularis | ubiquitin specific protease 41 | 0.0045 | 1 | 1 |
| Echinococcus granulosus | ubiquitin specific protease 41 | 0.0045 | 1 | 1 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 1 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.0032 | 0.5616 | 0.5616 |
| Onchocerca volvulus | 0.0033 | 0.5822 | 0.5 | |
| Loa Loa (eye worm) | cytoplasmic intermediate filament protein | 0.0017 | 0.0598 | 0.0598 |
| Schistosoma mansoni | ubiquitin-specific peptidase 8 (C19 family) | 0.0045 | 1 | 1 |
| Leishmania major | ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative | 0.0045 | 1 | 0.5 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 1 | 0.5 |
| Echinococcus multilocularis | lamin | 0.0033 | 0.5822 | 0.5822 |
| Loa Loa (eye worm) | hypothetical protein | 0.0033 | 0.5822 | 0.5822 |
| Loa Loa (eye worm) | intermediate filament tail domain-containing protein | 0.0033 | 0.5822 | 0.5822 |
| Echinococcus granulosus | intermediate filament protein | 0.0033 | 0.5822 | 0.5822 |
| Echinococcus multilocularis | musashi | 0.0033 | 0.5822 | 0.5822 |
| Schistosoma mansoni | ubiquitin-specific peptidase 2 (C19 family) | 0.0045 | 1 | 1 |
| Trypanosoma cruzi | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 1 | 0.5 |
| Trypanosoma brucei | ubiquitin carboxyl-terminal hydrolase, putative | 0.0045 | 1 | 0.5 |
| Echinococcus multilocularis | ubiquitin carboxyl terminal hydrolase 8 | 0.0045 | 1 | 1 |
| Trichomonas vaginalis | Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase | 0.0045 | 1 | 0.5 |
| Echinococcus multilocularis | lamin dm0 | 0.0033 | 0.5822 | 0.5822 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.9953 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a Using CHOP2 as the Reporter. (Class of assay: confirmatory) [Related pubchem assays: 2281 (Summary of qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a), 463106 (LOPAC Validation Assay for Inhibitors of Ubiquitin-specific Protease USP2a)] | ChEMBL. | No reference |
| Potency (functional) | = 14.1254 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 28.1838 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] | ChEMBL. | No reference |
| Potency (functional) | 28.1838 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 31.6228 um | PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (binding) | = 44.6684 um | PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | 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: CHEMBL1439634
Bibliographic References
No literature references available for this target.
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