Page last updated: 2024-11-12
sb674042
Description
Research Excerpts
Clinical Trials
Roles
Classes
Pathways
Study Profile
Bioassays
Related Drugs
Related Conditions
Protein Interactions
Research Growth
Market Indicators
Description
SB674042: nonpeptide antagonist to the human orexin-1 receptor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
Cross-References
| ID Source | ID |
|---|---|
| PubMed CID | 10204153 |
| CHEMBL ID | 2110363 |
| SCHEMBL ID | 1586957 |
| MeSH ID | M0473852 |
Synonyms (24)
| Synonym |
|---|
| cid 10204153 |
| CHEMBL2110363 , |
| HY-10898 |
| CS-0934 |
| sb-674042 |
| bdbm50423649 |
| SCHEMBL1586957 |
| 483313-22-0 |
| sb 674042 |
| [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl]methanone |
| [5-(2-fluorophenyl)-2-methyl-4-thiazolyl][2(s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl-1-pyrrolidinyl]methanone |
| (s)-(5-(2-fluorophenyl)-2-methylthiazol-4-yl)(2-((5-phenyl-1,3,4-oxadiazol-2-yl)methyl)pyrrolidin-1-yl)methanone |
| AKOS024458284 |
| DTXSID90436738 |
| [5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]{(2s)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-1-yl}methanone |
| 4ot , |
| sb674042 |
| gtpl9136 |
| NCGC00379073-05 |
| Q27088735 |
| AS-16760 |
| NCGC00379073-08 |
| AC-36961 |
| E98915 |
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 (9)
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 | 6.7412 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 10.6840 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Interferon beta | Homo sapiens (human) | Potency | 10.6840 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 10.6840 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 10.6840 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 10.6840 | 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) |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 1 | Homo sapiens (human) | Ki | 0.0025 | 0.0003 | 0.2876 | 3.1623 | AID1724828; AID765089 |
| Orexin receptor type 2 | Homo sapiens (human) | Ki | 0.1290 | 0.0002 | 0.3771 | 3.7810 | AID765090 |
| Sigma non-opioid intracellular receptor 1 | Rattus norvegicus (Norway rat) | Ki | 0.1290 | 0.0003 | 0.2671 | 5.0700 | AID765090 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Activation Measurements
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Orexin receptor type 1 | Homo sapiens (human) | Kd | 0.0051 | 0.0051 | 0.0160 | 0.0269 | AID347747 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
Biological Processes (55)
Molecular Functions (23)
Ceullar Components (23)
Bioassays (17)
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1346381 | Human OX1 receptor (Orexin receptors) | 2010 | Molecular pharmacology, Jul, Volume: 78, Issue:1 | Mapping the binding pocket of dual antagonist almorexant to human orexin 1 and orexin 2 receptors: comparison with the selective OX1 antagonist SB-674042 and the selective OX2 antagonist N-ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-py |
| AID1346418 | Human OX2 receptor (Orexin receptors) | 2013 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17 | Selective orexin receptor antagonists. |
| AID1346381 | Human OX1 receptor (Orexin receptors) | 2004 | British journal of pharmacology, Jan, Volume: 141, Issue:2 | Characterisation of the binding of [3H]-SB-674042, a novel nonpeptide antagonist, to the human orexin-1 receptor. |
| AID1346381 | Human OX1 receptor (Orexin receptors) | 2009 | Molecular pharmacology, Sep, Volume: 76, Issue:3 | Biochemical and electrophysiological characterization of almorexant, a dual orexin 1 receptor (OX1)/orexin 2 receptor (OX2) antagonist: comparison with selective OX1 and OX2 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. |
| 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. |
| 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. |
| AID765089 | Binding affinity to orexin receptor 1 (unknown origin) | 2013 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17 | Selective orexin receptor antagonists. |
| AID1724830 | Displacement of [3H]-EMPA from human orexin 2 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor. |
| AID765090 | Binding affinity to orexin receptor 2 (unknown origin) | 2013 | Bioorganic & medicinal chemistry letters, Sep-01, Volume: 23, Issue:17 | Selective orexin receptor antagonists. |
| AID1724828 | Displacement of [3H]-SB67404 from human orexin 1 receptor expressed in CHO cells incubated for 2 hrs by whole cell radioligand binding assay | 2020 | Journal of medicinal chemistry, 10-08, Volume: 63, Issue:19 | Structure-Based Discovery of Novel Ligands for the Orexin 2 Receptor. |
| AID347748 | Selectivity for OX1 receptor over OX2 receptor | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID347747 | Binding affinity to OX1 receptor | 2009 | Journal of medicinal chemistry, Feb-26, Volume: 52, Issue:4 | Biomedical application of orexin/hypocretin receptor ligands in neuroscience. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | 2014 | Journal of biomolecular screening, Jul, Volume: 19, Issue:6 | A High-Throughput Assay to Identify Inhibitors of the Apicoplast DNA Polymerase from Plasmodium falciparum. |
| AID1794808 | Fluorescence-based screening to identify small molecule inhibitors of Plasmodium falciparum apicoplast DNA polymerase (Pf-apPOL). | |||
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
Research
Studies (16)
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 4 (25.00) | 29.6817 |
| 2010's | 8 (50.00) | 24.3611 |
| 2020's | 4 (25.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
Market Indicators
Research Demand Index: 11.90
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 (11.90) All Compounds (24.57) |
Study Types
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (12.50%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 14 (87.50%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||