| ID Source | ID |
|---|---|
| PubMed CID | 10408514 |
| CHEMBL ID | 142009 |
| SCHEMBL ID | 264626 |
| MeSH ID | M0573595 |
| Synonym |
|---|
| cid 10408514 |
| bdbm50136694 |
| (s)-1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-3,3-dimethyl-2-[(pyridin-4-ylmethyl)-amino]-butan-1-one |
| (s)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one |
| CHEMBL142009 , |
| tcs ox2 29 |
| tcs-ox2-29 , |
| 372523-75-6 |
| S6717 |
| (2s)-1-(6,7-dimethoxy-3,4-dihydro-1h-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one |
| gtpl4038 |
| kb-11822 |
| compound 29 [pmid: 14643355] |
| SCHEMBL264626 |
| CS-5761 |
| HY-100452 |
| 1-butanone,1-(3,4-dihydro-6,7-dimethoxy-2(1h)-isoquinolinyl)-3,3-dimethyl-2-(4-pyridinylmethyl)amino-,(2s)- |
| NCGC00370876-01 |
| (s)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-3,3-dimethyl-2-((pyridin-4-ylmethyl)amino)butan-1-one |
| AKOS032944970 |
| EX-A1454 |
| BS-17144 |
| Q12747053 |
| kh2us47j8r , |
| orexin antagonist tcs-ox2-29 |
| (2s)-2-(4-pyridylmethylamino)-1-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-3,3-dimethylbutan-1-one |
| 1-butanone, 1-(3,4-dihydro-6,7-dimethoxy-2(1h)-isoquinolinyl)-3,3-dimethyl-2-((4-pyridinylmethyl)amino)-, (2s)- |
| isoquinoline, 2-((2s)-3,3-dimethyl-1-oxo-2-((4-pyridinylmethyl)amino)butyl)-1,2,3,4-tetrahydro-6,7-dimethoxy- |
| (2s)-1-(3,4-dihydro-6,7-dimethoxy-2(1h)-isoquinolinyl)-3,3-dimethyl-2-((4-pyridinylmethyl)amino)-1-butanone |
| tcs-ox 2-29 |
| (2s)-1-(6,7-dimethoxy-3,4-dihydro-2(1h)-isoquinolinyl)-3,3-dimethyl-2-[(4-pyridinylmethyl)amino]-1-butanone |
| DTXSID801028419 |
| HB3225 |
| c23h31n3o3.2hcl |
| 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 |
| 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 | 1.6933 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 21.3174 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 1.6933 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 1.6933 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 1.6933 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 1.6933 | 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) |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 1 | Homo sapiens (human) | IC50 (µMol) | 10.0000 | 0.0060 | 0.0445 | 0.1990 | AID150427; AID347749; AID765089 |
| Orexin receptor type 2 | Homo sapiens (human) | IC50 (µMol) | 0.0400 | 0.0004 | 0.5185 | 8.1000 | AID150551; AID347750; AID765090 |
| Sigma non-opioid intracellular receptor 1 | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.0400 | 0.0003 | 0.5570 | 4.2000 | AID765090 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID765090 | Binding affinity to orexin receptor 2 (unknown origin) | 2013 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17 | Selective orexin receptor antagonists. |
| AID347751 | Selectivity for human OX2 receptor over human OX1 receptor | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID347753 | Inhibition of neuropeptide Y receptor at 10 uM | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID765089 | Binding affinity to orexin receptor 1 (unknown origin) | 2013 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17 | Selective orexin receptor antagonists. |
| AID150427 | Inhibitory concentration against human orexin-1 receptor (hOX1R) | 2003 | Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24 | N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist. |
| AID347749 | Antagonist activity at human OX1 receptor | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID347752 | Inhibition of galanin receptor at 10 uM | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID150551 | Inhibitory concentration against human orexin-2 receptor (hOX2R) | 2003 | Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24 | N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist. |
| AID347750 | Antagonist activity at human OX2 receptor | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| 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. |
| 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. |
| 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. |
| AID1346418 | Human OX2 receptor (Orexin receptors) | 2003 | Bioorganic & medicinal chemistry letters, Dec-15, Volume: 13, Issue:24 | N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist. |
| [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 | 2 (33.33) | 29.6817 |
| 2010's | 2 (33.33) | 24.3611 |
| 2020's | 2 (33.33) | 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 moderate demand-to-supply ratio for research on this compound.
| This Compound (17.97) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (33.33%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 4 (66.67%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||