| ID Source | ID |
|---|---|
| PubMed CID | 11948661 |
| CHEMBL ID | 2332355 |
| CHEBI ID | 181647 |
| MeSH ID | M000611659 |
| Synonym |
|---|
| [(1s,2s,4s,5s,6r,10s)-2-(hydroxymethyl)-10-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (e)-3-(4-hydroxyphenyl)prop-2-enoate |
| specioside |
| 72514-90-0 |
| CHEBI:181647 |
| bdbm50429455 |
| beta-d-glucopyranoside, (1as,1bs,2s,5ar,6s,6as)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-(((2e)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)oxy)oxireno(4,5)cyclopenta(1,2-c)pyran-2-yl |
| 6-o-(p-coumaroyl)catalpol |
| CHEMBL2332355 , |
| ncgc00347822-02_c24h28o12_2-propenoic acid, 3-(4-hydroxyphenyl)-, (1as,1bs,2s,5ar,6s,6as)-2-(beta-d-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-6-yl ester, (2e)- |
| NCGC00347822-02 |
| FS-8992 |
| (-)-specioside;6-o-(e)-p-coumaroylcatalpol |
| [(1as)-1a,1balpha,2,5aalpha,6,6abeta-hexahydro-1abeta-hydroxymethyl-6alpha-[[(e)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2alpha-yl]beta-d-glucopyranoside |
| DTXSID801318410 |
| AKOS040762362 |
| CS-0016593 |
| HY-N1206 |
| 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 |
|---|---|
| cinnamate ester | |
| [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 | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Homo sapiens (human) | Kd | 0.0260 | 0.0003 | 0.9488 | 9.8000 | AID730648 |
| [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. |
| 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. |
| 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. |
| 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. |
| AID1378838 | Peroxynitrite scavenging activity assessed as inhibition of DHR 123 oxidation after 5 mins in presence of SIN-1 by fluorescence assay | 2017 | Journal of natural products, 08-25, Volume: 80, Issue:8 | Peroxynitrite-Scavenging Glycosides from the Stem Bark of Catalpa ovata. |
| AID730647 | Inhibition of Hsp90 alpha (unknown origin) ATPase activity after 60 mins by fluorimetry | 2013 | Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4 | A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors. |
| AID730648 | Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon resonance | 2013 | Journal of medicinal chemistry, Feb-28, Volume: 56, Issue:4 | A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors. |
| [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 | 3 (60.00) | 24.3611 |
| 2020's | 2 (40.00) | 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 (12.72) 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 | 5 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||