Detailed information for compound 1536027
Basic information
Technical information
- TDR Targets ID: 1536027
- Name: 2-(phenyl-piperidin-1-ylmethyl)naphthalen-1-o l
- MW: 317.424 | Formula: C22H23NO
-
H donors: 1
H acceptors: 1
LogP: 5.19
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Oc1c(ccc2c1cccc2)C(c1ccccc1)N1CCCCC1
- InChi: 1S/C22H23NO/c24-22-19-12-6-5-9-17(19)13-14-20(22)21(18-10-3-1-4-11-18)23-15-7-2-8-16-23/h1,3-6,9-14,21,24H,2,7-8,15-16H2
- InChiKey: BHQMZYFPNOMHJJ-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- 2-[phenyl-(1-piperidyl)methyl]naphthalen-1-ol
- 2-[phenyl-(1-piperidyl)methyl]-1-naphthalenol
- 2-(phenyl-piperidino-methyl)-1-naphthol
- 2-(phenyl-piperidin-1-yl-methyl)naphthalen-1-ol
- NSC150235
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | perilipin 1 | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | hepatocyte nuclear factor 4, alpha | Starlite/ChEMBL | No references |
| Homo sapiens | polo-like kinase 1 | 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 |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Brugia malayi | serine/threonine-protein kinase plk-2 | 0.0114 | 0.7248 | 0.7248 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Giardia lamblia | Kinase, PLK | 0.0114 | 0.7248 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.7248 | 0.5 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.1893 | 0.1893 |
| Trypanosoma brucei | polo-like protein kinase | 0.0114 | 0.7248 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0114 | 0.7248 | 0.7744 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0142 | 1 | 1 |
| Loa Loa (eye worm) | PLK/PLK1 protein kinase | 0.0114 | 0.7248 | 0.7248 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.1893 | 0.1893 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0142 | 1 | 1 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0142 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.1893 | 0.1893 |
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.0135 | 0.9359 | 1 |
| Leishmania major | protein kinase, putative,polo-like protein kinase, putative | 0.0114 | 0.7248 | 0.5 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Schistosoma mansoni | kinase | 0.0058 | 0.1672 | 0.1787 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
| Onchocerca volvulus | Serine\/threonine kinase homolog | 0.0114 | 0.7248 | 0.5 |
| Entamoeba histolytica | serine/threonine protein kinase, putative | 0.0114 | 0.7248 | 0.5 |
| Trypanosoma cruzi | polo-like protein kinase, putative | 0.0114 | 0.7248 | 0.5 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.1893 | 0.1893 |
| Trichomonas vaginalis | CAMK family protein kinase | 0.0114 | 0.7248 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| IC50 (functional) | 0.82821 uM | PubChem BioAssay. Counterscreen for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5): Luminescence-based biochemical high throughput dose response assay to identify inhibitors of Hepatocyte nuclear factor 4 (HNF4) dimerization. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | 1.01 uM | PubChem BioAssay. Counterscreen for inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-5 (MLDP; PLIN5): Luminescence-based biochemical high throughput dose response assay to identify inhibitors of the interaction of the lipase co-activator protein, abhydrolase domain containing 5 (ABHD5) with perilipin-1 (PLIN1). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 2.9935 uM | PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | 22.3872 uM | PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) | 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: CHEMBL1905503
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.