Detailed information for compound 1394408
Basic information
Technical information
- TDR Targets ID: 1394408
- Name: 4-phenyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl )butanamide
- MW: 293.403 | Formula: C20H23NO
-
H donors: 1
H acceptors: 1
LogP: 4.72
Rotable bonds: 6
Rule of 5 violations (Lipinski): 1 - SMILES: O=C(Nc1cccc2c1CCCC2)CCCc1ccccc1
- InChi: 1S/C20H23NO/c22-20(15-6-10-16-8-2-1-3-9-16)21-19-14-7-12-17-11-4-5-13-18(17)19/h1-3,7-9,12,14H,4-6,10-11,13,15H2,(H,21,22)
- InChiKey: VHMCWNCNASQJOM-UHFFFAOYSA-N
Network
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Synonyms
- 4-phenyl-N-tetralin-5-yl-butanamide
- 4-phenyl-N-(5-tetralinyl)butanamide
- 4-phenyl-N-tetralin-5-yl-butyramide
- 4-phenyl-N-(5,6,7,8-tetrahydro-1-naphthalenyl)butanamide
- MLS000534054
- SMR000141491
- STK167742
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
| Homo sapiens | euchromatic histone-lysine N-methyltransferase 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Inositol monophosphatase 1 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0058 | 0.0058 |
| Wolbachia endosymbiont of Brugia malayi | fructose-1,6-bisphosphatase | 0.0045 | 0.0058 | 0.5 |
| Schistosoma mansoni | inositol monophosphatase | 0.0045 | 0.0058 | 0.0058 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0093 | 0.0093 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.0038 | 0.0038 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.4462 | 1 | 1 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0251 | 0.0523 | 0.0523 |
| Brugia malayi | Pre-SET motif family protein | 0.0251 | 0.0523 | 0.0523 |
| Echinococcus granulosus | histone lysine methyltransferase setb | 0.0036 | 0.0038 | 0.0038 |
| Mycobacterium ulcerans | extragenic suppressor protein SuhB | 0.0045 | 0.0058 | 0.5 |
| Toxoplasma gondii | inositol(myo)-1(or 4)-monophosphatase 2, putative | 0.0045 | 0.0058 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.005 | 0.005 |
| Entamoeba histolytica | myo-inositol monophosphatase, putative | 0.0045 | 0.0058 | 0.5 |
| Mycobacterium tuberculosis | Inositol-1-monophosphatase SuhB | 0.004 | 0.0047 | 0.5 |
| Echinococcus granulosus | 5'partial|histone lysine N methyltransferase SETDB2 | 0.0035 | 0.0035 | 0.0035 |
| Echinococcus multilocularis | histone lysine methyltransferase setb histone lysine methyltransferase eggless | 0.0036 | 0.0038 | 0.0038 |
| Mycobacterium leprae | possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). | 0.004 | 0.0047 | 0.5 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0058 | 0.5 |
| Schistosoma mansoni | histone-lysine n-methyltransferase suv9 | 0.0036 | 0.0038 | 0.0038 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.0038 | 0.0038 |
| Plasmodium vivax | SET domain protein, putative | 0.0036 | 0.0038 | 0.5 |
| Leishmania major | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0058 | 0.5 |
| Echinococcus multilocularis | histone lysine N methyltransferase SETMAR | 0.0036 | 0.0038 | 0.0038 |
| Schistosoma mansoni | histone-lysine n-methyltransferase setb1 | 0.0036 | 0.0038 | 0.0038 |
| Trypanosoma brucei | inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0058 | 0.5 |
| Onchocerca volvulus | 0.0286 | 0.0601 | 1 | |
| Brugia malayi | Pre-SET motif family protein | 0.0036 | 0.0038 | 0.0038 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.005 | 0.005 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0093 | 0.0093 |
| Brugia malayi | Inositol-1 | 0.0045 | 0.0058 | 0.0058 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.005 | 0.005 |
| Echinococcus granulosus | MAP kinase activated protein kinase 2 | 0.4462 | 1 | 1 |
| Echinococcus granulosus | inositol monophosphatase 1 | 0.0045 | 0.0058 | 0.0058 |
| Loa Loa (eye worm) | inositol-1 | 0.0045 | 0.0058 | 0.0058 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0093 | 0.0093 |
| Echinococcus multilocularis | MAP kinase activated protein kinase 2 | 0.4462 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0036 | 0.0038 | 0.0038 |
| Trypanosoma cruzi | myo-inositol-1(or 4)-monophosphatase 1, putative | 0.0045 | 0.0058 | 0.5 |
| Loa Loa (eye worm) | camk/mapkapk/mapkapk protein kinase | 0.4462 | 1 | 1 |
| Echinococcus multilocularis | inositol monophosphatase 1 | 0.0045 | 0.0058 | 0.0058 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0286 | 0.0601 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0093 | 0.0093 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 1.7783 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | = 2.8184 um | PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] | 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) | = 39.8107 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 |
| Potency (functional) | 100 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: CHEMBL1526502
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.