The compound you described, **1-(4-methyl-1-piperazinyl)-2-[[(1R,2S)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone**, is a complex molecule with a specific chemical structure. It is **not** a well-known or established compound in scientific literature.
**Therefore, its importance for research cannot be definitively stated.**
It's possible that this molecule is:
* **A novel synthetic compound**: A research group might be investigating its properties for potential applications in medicine, agriculture, or other fields.
* **An intermediate in a larger synthesis**: It could be a temporary compound used in the creation of another molecule of interest.
* **A hypothetical molecule**: It might have been proposed by a researcher as a potential target for synthesis or as a model for studying specific chemical interactions.
**To learn more about the importance of this compound, you would need to:**
1. **Locate the source of the information**: Where did you encounter this chemical name? Was it in a research paper, a database, or a lecture?
2. **Identify the context**: What was the context surrounding the mention of this molecule? Was it related to drug development, material science, or another field?
3. **Search for relevant research publications**: Use the chemical name, the specific context, or any related keywords to search for scientific publications that might discuss this compound.
Remember, without additional information, it's impossible to determine the significance of this molecule for research.
| ID Source | ID |
|---|---|
| PubMed CID | 45376076 |
| CHEMBL ID | 4303296 |
| CHEBI ID | 125555 |
| SCHEMBL ID | 1287584 |
| Synonym |
|---|
| CHEBI:125555 |
| rn-1 |
| BRD-K41415459-001-01-0 |
| SCHEMBL1287584 |
| 2-{[(1r,2s)-2-[4-(benzyloxy)phenyl]cyclopropyl]amino}-1-(4-methylpiperazin-1-yl)ethan-1-one |
| gtpl8980 |
| NCGC00370750-02 |
| 1221595-26-1 |
| 2-((trans-2-(4-(benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethanone |
| Q27088562 |
| CHEMBL4303296 , |
| 2-(((1r,2s)-2-(4-(benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethan-1-one |
| 1808255-63-1 |
| bdbm50541502 |
| Excerpt | Reference | Relevance |
|---|---|---|
| "The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs." | ( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019) | 0.51 |
| Class | Description |
|---|---|
| amino acid amide | An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 13.4504 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 26.8370 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 10.6840 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 26.8370 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 26.8370 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 26.8370 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 26.8370 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | Homo sapiens (human) | IC50 (µMol) | 0.0258 | 0.0031 | 2.1602 | 9.6000 | AID1657496; AID1755600; AID1755601; AID1755602 |
| Amine oxidase [flavin-containing] A | Homo sapiens (human) | IC50 (µMol) | 0.5100 | 0.0000 | 2.3789 | 9.7700 | AID1755603 |
| Amine oxidase [flavin-containing] B | Homo sapiens (human) | IC50 (µMol) | 2.7850 | 0.0000 | 1.8914 | 9.5700 | AID1755604 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 | Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening. |
| AID1346987 | P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1347160 | Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1347159 | Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay | 2020 | Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1755603 | Inhibition of MAO-A (unknown origin) measured after 60 mins by luciferin-based luminescence assay | 2020 | Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23 | Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective. |
| AID1755602 | Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by mass-spectrom | 2020 | Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23 | Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective. |
| AID1755600 | Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using (NH2-ARTK(me2)-QTARKSTGGKAPRKQKA-COOH as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by HRP-Coupled a | 2020 | Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23 | Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective. |
| AID1755601 | Inhibition of N-terminal GST-tagged human LSD1 (158 to end residues) expressed in Escherichia coli using biotinylated H3K4Me2 peptide as substrate preincubated for 15 mins followed by substrate addition and measured after 8 mins by TR-FRET assay | 2020 | Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23 | Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective. |
| AID1755604 | Inhibition of MAO-B (unknown origin) measured after 60 mins by luciferin-based luminescence assay | 2020 | Journal of medicinal chemistry, 12-10, Volume: 63, Issue:23 | Tranylcypromine Based Lysine-Specific Demethylase 1 Inhibitor: Summary and Perspective. |
| AID1657496 | Inhibition of LSD1 (unknown origin) | 2020 | Bioorganic & medicinal chemistry letters, 05-15, Volume: 30, Issue:10 | 4-Hydroxy-3-methylbenzofuran-2-carbohydrazones as novel LSD1 inhibitors. |
| AID1346016 | Human lysine demethylase 1A (1.14.11.- Histone demethylases) | 2012 | ACS chemical neuroscience, Feb-15, Volume: 3, Issue:2 | Brain-penetrant LSD1 inhibitors can block memory consolidation. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 0 (0.00) | 29.6817 |
| 2010's | 2 (33.33) | 24.3611 |
| 2020's | 4 (66.67) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.56) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 1 (16.67%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 5 (83.33%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||