MDL 105725: structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 9906851 |
| CHEMBL ID | 489621 |
| CHEBI ID | 93603 |
| SCHEMBL ID | 7898679 |
| MeSH ID | M0292732 |
| Synonym |
|---|
| smr000486297 |
| (r)-3-((1-(4-fluorophenethyl)piperidin-4-yl)(hydroxy)methyl)-2-methoxyphenol |
| MLS001060842 |
| cid_9906851 |
| bdbm50267633 |
| (r)-(3-hydroxy-2-methoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol |
| CHEMBL489621 , |
| HMS2223O16 |
| SCHEMBL7898679 |
| (+)-mdl 105725 |
| mdl 105725 |
| 189192-18-5 |
| 3-((r)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-hydroxy-methyl)-2-methoxy-phenol |
| mdl-105725 |
| CHEBI:93603 |
| Q27165296 |
| 3-[(r)-[1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl]-hydroxymethyl]-2-methoxyphenol |
| 3-[(r)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]-2-methoxyphenol |
| (r)-(+)-alpha-(3-hydroxy-2-methoxyphenyl)-1-[2-(4-fluoro-phenyl)ethyl]-4-piperidine methanol |
| 4-piperidinemethanol,1-[2-(4-fluorophenyl)ethyl]-a-(3-hydroxy-2-methoxyphenyl)-,(ar)- |
| E98770 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " Pharmacokinetic studies of MDL 100,907 in rats and dogs show that the drug is well absorbed but undergoes extensive first-pass metabolism to an active metabolite (MDL 105,725)." | ( Investigation of the CNS penetration of a potent 5-HT2a receptor antagonist (MDL 100,907) and an active metabolite (MDL 105,725) using in vivo microdialysis sampling in the rat. Heath, TG; Scott, DO, 1998) | 0.3 |
| Class | Description |
|---|---|
| methoxybenzenes | Any aromatic ether that consists of a benzene skeleton substituted with one or more methoxy groups. |
| phenols | Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. |
| [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) |
|---|---|---|---|---|---|---|---|
| Smad3 | Homo sapiens (human) | Potency | 1.9953 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
| peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 3.1623 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
| [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) |
|---|---|---|---|---|---|---|---|
| polyadenylate-binding protein 1 | Homo sapiens (human) | IC50 (µMol) | 51.4500 | 4.9100 | 23.7029 | 76.1900 | AID602259; AID602260 |
| 5-hydroxytryptamine receptor 2A | Rattus norvegicus (Norway rat) | Ki | 0.0003 | 0.0001 | 0.6017 | 10.0000 | AID415447 |
| [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) |
|---|---|---|---|---|---|---|---|
| POsterior Segregation | Caenorhabditis elegans | EC50 (µMol) | 14.4380 | 2.2010 | 47.1808 | 186.6810 | AID1964 |
| Sodium-dependent noradrenaline transporter | Homo sapiens (human) | EC50 (µMol) | 13.6670 | 0.0820 | 31.0243 | 168.9080 | AID1960 |
| Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 (µMol) | 13.6670 | 0.0820 | 33.5679 | 168.9080 | AID1960 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| cell surface | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| neuronal cell body membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| presynaptic membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| plasma membrane | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| axon | Sodium-dependent noradrenaline transporter | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
| AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
| AID415447 | Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser | 2009 | Bioorganic & medicinal chemistry, Apr-15, Volume: 17, Issue:8 | Synthesis and in vitro affinities of various MDL 100907 derivatives as potential 18F-radioligands for 5-HT2A receptor imaging with PET. |
| [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 | 1 (14.29) | 18.2507 |
| 2000's | 2 (28.57) | 29.6817 |
| 2010's | 3 (42.86) | 24.3611 |
| 2020's | 1 (14.29) | 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 (12.70) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 7 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||