Page last updated: 2024-11-12
a-841720
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Market Indicators
Description
A-841720: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 11559235 |
| CHEMBL ID | 386565 |
| SCHEMBL ID | 8237949 |
| MeSH ID | M0506546 |
Synonyms (27)
| Synonym |
|---|
| a-841720 |
| CHEMBL386565 , |
| bdbm50177080 |
| 9-dimethylamino-3-(n-hexamethyleneiminyl)-3h-5-thia-1,3,6-triazafluoren-4-one |
| 3-azepan-1-yl-9-dimethylamino-3h-pyrido[3'',2'':4,5]thieno[3,2-d]pyrimidin-4-one |
| A841720 , |
| a 841720 |
| unii-u8c5c9d65s |
| u8c5c9d65s , |
| pyrido(3',2':4,5)thieno(3,2-d)pyrimidin-4(3h)-one, 9-(dimethylamino)-3-(hexahydro-1h-azepin-1-yl)- |
| 9-(dimethylamino)-3-(hexahydro-1h-azepin-1-yl)pyrido[3' ,2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one |
| 869802-58-4 |
| gtpl3953 |
| 3-(azepan-1-yl)-9-(dimethylamino)pyrido[1,2]thieno[3,4-d]pyrimidin-4-one |
| DTXSID10236030 |
| SCHEMBL8237949 |
| a 841720|9-(dimethylamino)-3-(hexahydro-1h-azepin-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one |
| 9-(dimethylamino)-3-(hexahydro-1h-azepin-1-yl)-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one |
| AKOS024457407 |
| NCGC00371083-02 |
| 3-(azepan-1-yl)-9-(dimethylamino)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one |
| 9-(dimethylamino)-3-(hexahydro-1h-azepin-1-yl)pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3h)-one |
| Q27074087 |
| CS-0028084 |
| 5-(azepan-1-yl)-13-(dimethylamino)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one |
| HY-103550 |
| E98797 |
Research Excerpts
Bioavailability
| 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 |
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
Protein Targets (14)
Potency Measurements
| 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 | 2.6837 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 7.5637 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 18.9991 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 7.5637 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 7.5637 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 7.5637 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 7.5637 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Inhibition Measurements
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Metabotropic glutamate receptor 1 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.0055 | 0.0002 | 0.5887 | 8.9900 | AID271550; AID362992 |
| Type-1A angiotensin II receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 10.0000 | 0.0004 | 0.1555 | 3.8000 | AID271551 |
| Type-1B angiotensin II receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 10.0000 | 0.0004 | 0.1334 | 3.8000 | AID271551 |
| Metabotropic glutamate receptor 5 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 10.0000 | 0.0000 | 0.5262 | 7.9700 | AID271551 |
| Acetylcholinesterase | Rattus norvegicus (Norway rat) | IC50 (µMol) | 10.0000 | 0.0002 | 0.5259 | 7.2000 | AID271551 |
| Metabotropic glutamate receptor 5 | Homo sapiens (human) | IC50 (µMol) | 0.3420 | 0.0005 | 0.4394 | 10.0000 | AID282966 |
| Metabotropic glutamate receptor 1 | Homo sapiens (human) | IC50 (µMol) | 0.0100 | 0.0005 | 2.0140 | 8.8000 | AID282965 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (70)
Molecular Functions (28)
Ceullar Components (31)
Bioassays (17)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID271552 | Ratio of drug level in plasma against brain in rat after 30 mins at 30 umol/kg, ip | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID271551 | Antagonist activity at rat mGluR5 expressed in 1321N1 cells | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID271554 | Drug level in rat brain at 30 umol/kg, ip | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID271553 | Efficacy in rat Chung spinal nerve L5/L6 ligation pain model after 30 mins at 100 umol/kg, ip | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID271550 | Antagonist activity at rat mGluR1 expressed in 1321N1 cells | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID282966 | Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Structure-activity relationship of triazafluorenone derivatives as potent and selective mGluR1 antagonists. |
| AID271547 | Efficacy in ip dosed rat Chung spinal nerve L5/L6 ligation pain model after 30 mins | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID362992 | Inhibition of rat mGluR1 | 2008 | European journal of medicinal chemistry, May, Volume: 43, Issue:5 | 3D-QSAR studies of triazafluorenone inhibitors of metabotropic glutamate receptor subtype 1. |
| AID282965 | Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Structure-activity relationship of triazafluorenone derivatives as potent and selective mGluR1 antagonists. |
| 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. |
| 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. |
| 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. |
| AID1346276 | Rat mGlu1 receptor (Metabotropic glutamate receptors) | 2006 | Bioorganic & medicinal chemistry letters, Sep-15, Volume: 16, Issue:18 | Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists. |
| AID1346268 | Human mGlu1 receptor (Metabotropic glutamate receptors) | 2005 | Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23 | Structure-activity relationship of triazafluorenone derivatives as potent and selective mGluR1 antagonists. |
| AID1346276 | Rat mGlu1 receptor (Metabotropic glutamate receptors) | 2008 | European journal of pharmacology, Feb-12, Volume: 580, Issue:3 | Analgesic activity of metabotropic glutamate receptor 1 antagonists on spontaneous post-operative pain in rats. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (11)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 6 (54.55) | 29.6817 |
| 2010's | 3 (27.27) | 24.3611 |
| 2020's | 2 (18.18) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
Market Indicators
Research Demand Index: 11.98
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 (11.98) All Compounds (24.57) |
Study Types
| 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 | 11 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||