Detailed information for compound 1575087
Basic information
Technical information
- TDR Targets ID: 1575087
- Name: N-[2-(1-cyclohexenyl)-2-phenylpentyl]acetamid e
- MW: 285.424 | Formula: C19H27NO
-
H donors: 1
H acceptors: 1
LogP: 4.49
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: CCCC(c1ccccc1)(C1=CCCCC1)CNC(=O)C
- InChi: 1S/C19H27NO/c1-3-14-19(15-20-16(2)21,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4,6-7,10-12H,3,5,8-9,13-15H2,1-2H3,(H,20,21)
- InChiKey: IHUNJFFGIRPLSW-UHFFFAOYSA-N
Network
Hover on a compound node to display the structore
Synonyms
- N-[2-(1-cyclohexenyl)-2-phenyl-pentyl]acetamide
- N-[2-(1-cyclohexenyl)-2-phenyl-pentyl]ethanamide
- NSC128102
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | Rap guanine nucleotide exchange factor (GEF) 4 | Starlite/ChEMBL | No references |
| Homo sapiens | glucagon-like peptide 1 receptor | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Loa Loa (eye worm) | hypothetical protein | Get druggable targets OG5_131726 | All targets in OG5_131726 |
| Onchocerca volvulus | Rap guanine nucleotide exchange factor 1 homolog | Get druggable targets OG5_131726 | All targets in OG5_131726 |
| Brugia malayi | N-terminal motif family protein | Get druggable targets OG5_131726 | All targets in OG5_131726 |
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 |
|---|---|---|---|---|
| Echinococcus granulosus | retinoic acid receptor rxr beta a | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-40 | 0.0522 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | nuclear receptor RXR | 0.0276 | 0.5104 | 0.5104 |
| Loa Loa (eye worm) | nuclear receptor nhr-7B | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0522 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor 2DBD-gamma | 0.0522 | 1 | 1 |
| Brugia malayi | orphan nuclear receptor NR2E1 | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | steroid hormone receptor ad4bp | 0.0522 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor family member nhr 41 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0276 | 0.5104 | 0.5104 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0522 | 1 | 1 |
| Brugia malayi | conserved hypotetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus granulosus | ecdysone induced protein 78C | 0.0522 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0246 | 0.4517 | 0.4517 |
| Onchocerca volvulus | Protein ultraspiracle homolog | 0.0522 | 1 | 1 |
| Brugia malayi | tailless protein | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | thyroid hormone receptor alpha | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-3 | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-49 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | RAR-like nuclear receptor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor nor-1/nor-2 | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Schistosoma mansoni | nuclear receptor nhr-48 | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | nuclear receptor subfamily 1, group D, member 1, putative | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Echinococcus multilocularis | FTZ F1 nuclear receptor protein | 0.0522 | 1 | 1 |
| Schistosoma mansoni | Tr4/Tr2 (homologue) | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor E75 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-41 | 0.0522 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor subfamily 1 group D | 0.0276 | 0.5104 | 0.5104 |
| Loa Loa (eye worm) | hypothetical protein | 0.006 | 0.0818 | 0.0818 |
| Loa Loa (eye worm) | hypothetical protein | 0.0218 | 0.3953 | 0.3953 |
| Echinococcus multilocularis | retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus granulosus | nuclear receptor subfamily 4 group A | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus granulosus | FTZ F1 alpha | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor family member nhr-31 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0041 | 0.0439 | 0.0439 |
| Schistosoma mansoni | nuclear receptor | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0041 | 0.0439 | 0.0439 |
| Echinococcus multilocularis | COUP TF:Svp nuclear hormone receptor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-31 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | retinoid-x-receptor (RXR) | 0.0522 | 1 | 1 |
| Echinococcus granulosus | hepatocyte nuclear factor 4 alpha | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Echinococcus multilocularis | nuclear receptor nhr 48 | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | photoreceptor-specific nuclear receptor related | 0.0522 | 1 | 1 |
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0246 | 0.4517 | 0.0933 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor family member nhr-1 | 0.0522 | 1 | 1 |
| Brugia malayi | N-terminal motif family protein | 0.0218 | 0.3953 | 0.3953 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0522 | 1 | 1 |
| Schistosoma mansoni | nuclear receptor | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | nuclear hormone receptor family member nhr-6 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-1 | 0.0522 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor nhr 48 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | nuclear receptor RXR | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | retinoic acid receptor RXR | 0.0522 | 1 | 1 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0522 | 1 | 1 |
| Brugia malayi | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor family member nhr-14 | 0.0522 | 1 | 1 |
| Brugia malayi | Calcitonin receptor-like protein seb-1 | 0.006 | 0.0818 | 0.0818 |
| Schistosoma mansoni | zinc finger protein | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | ecdysone induced protein 78C | 0.0522 | 1 | 1 |
| Brugia malayi | Ligand-binding domain of nuclear hormone receptor family protein | 0.0522 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor family member odr-7 | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Echinococcus granulosus | thyroid hormone receptor alpha | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | DR-78 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-49 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | nuclear hormone receptor superfamily protein-related | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0276 | 0.5104 | 0.5104 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0522 | 1 | 1 |
| Onchocerca volvulus | Nuclear receptor subfamily 6 group A member 1 homolog | 0.0246 | 0.4517 | 0.0933 |
| Brugia malayi | Nuclear hormone receptor family member nhr-41 | 0.0522 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor HR96 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-40 | 0.0522 | 1 | 1 |
| Brugia malayi | latrophilin 2 splice variant baaae | 0.0041 | 0.0439 | 0.0439 |
| Echinococcus multilocularis | hepatocyte nuclear factor 4 alpha | 0.0522 | 1 | 1 |
| Brugia malayi | Corticotropin releasing factor receptor 2 precursor, putative | 0.006 | 0.0818 | 0.0818 |
| Brugia malayi | Nuclear hormone receptor family member nhr-19 | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0522 | 1 | 1 |
| Onchocerca volvulus | 0.0522 | 1 | 1 | |
| Brugia malayi | steroid hormone receptor | 0.0522 | 1 | 1 |
| Onchocerca volvulus | Steroid hormone receptor family member cnr14 homolog | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Brugia malayi | Nuclear hormone receptor-like 1 | 0.0276 | 0.5104 | 0.5104 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Echinococcus granulosus | COUP TF:Svp nuclear hormone receptor | 0.0522 | 1 | 1 |
| Echinococcus granulosus | nuclear receptor 2DBD gamma | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Loa Loa (eye worm) | nuclear hormone receptor-like 1 | 0.0276 | 0.5104 | 0.5104 |
| Echinococcus granulosus | FTZ F1 nuclear receptor protein | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Schistosoma mansoni | hepatocyte nuclear factor 4-alpha (hnf-4-alpha) | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0276 | 0.5104 | 0.5104 |
| Brugia malayi | nuclear receptor NHR-88 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear hormone receptor family member nhr-14 | 0.0522 | 1 | 1 |
| Brugia malayi | photoreceptor-specific nuclear receptor | 0.0522 | 1 | 1 |
| Brugia malayi | Steroid receptor seven-up type 2 | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Onchocerca volvulus | 0.0246 | 0.4517 | 0.0933 | |
| Schistosoma mansoni | coup transcription factor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | steroid hormone receptor | 0.0522 | 1 | 1 |
| Onchocerca volvulus | Bile acid receptor homolog | 0.0522 | 1 | 1 |
| Onchocerca volvulus | 0.0246 | 0.4517 | 0.0933 | |
| Schistosoma mansoni | thyroid hormone receptor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | nuclear receptor subfamily 1 group D | 0.0276 | 0.5104 | 0.5104 |
| Brugia malayi | ecdysone receptor | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | Nuclear hormone receptor family member nhr-25 | 0.0522 | 1 | 1 |
| Schistosoma mansoni | ecdysone-induced protein 78c (dr-78) | 0.0276 | 0.5104 | 0.5104 |
| Schistosoma mansoni | FTZ-F1 nuclear receptor-like protein | 0.0522 | 1 | 1 |
| Brugia malayi | nuclear hormone receptor | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | hypothetical protein | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | pigment dispersing factor receptor c | 0.006 | 0.0818 | 0.0818 |
| Echinococcus multilocularis | nuclear receptor 2DBD gamma | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | FTZ F1 alpha | 0.0522 | 1 | 1 |
| Echinococcus granulosus | Nuclear hormone receptor HR96 | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | nuclear hormone receptor | 0.0246 | 0.4517 | 0.4517 |
| Brugia malayi | nuclear receptor NHR-67 | 0.0246 | 0.4517 | 0.4517 |
| Loa Loa (eye worm) | nuclear Hormone Receptor family member | 0.0522 | 1 | 1 |
| Echinococcus multilocularis | Nuclear hormone receptor family member nhr 41 | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0246 | 0.4517 | 0.4517 |
| Schistosoma mansoni | thyroid hormone receptor | 0.0522 | 1 | 1 |
| Loa Loa (eye worm) | nuclear receptor NHR-67 | 0.0246 | 0.4517 | 0.4517 |
| Echinococcus multilocularis | nuclear receptor subfamily 4 group A | 0.0246 | 0.4517 | 0.4517 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Potency (functional) | 2.2387 uM | PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 8.9125 uM | PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 11.2202 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 |
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: CHEMBL1894205
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.