GSK2194069: a beta-ketoacyl reductase inhibitor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 67376285 |
| CHEMBL ID | 3646801 |
| SCHEMBL ID | 2356163 |
| MeSH ID | M000599056 |
| Synonym |
|---|
| HY-12325 |
| gsk2194069 |
| CS-3324 |
| 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one |
| AQTPWCUIYUOEMG-INIZCTEOSA-N |
| (s)-4-(4-(benzofuran-5-yl)phenyl)-3-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-1h-1,2,4-triazol-5(4h)-one |
| 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-2,4-dihydro-3h-1,2,4-triazol-3-one |
| 2w4 , |
| SCHEMBL2356163 |
| bdbm119133 |
| us8802864, 1 |
| gsk2194069 (2) |
| AKOS025147345 |
| 4-[4-(5-benzofuranyl)phenyl]-5-[[(3s)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro-3h-1,2,4-triazol-3-one |
| 1332331-08-4 |
| gsk 2194069 |
| gsk-2194069 |
| 4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3s)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1h-1,2,4-triazol-5-one |
| gtpl8605 |
| CHEMBL3646801 |
| gsk2194069, >=97% (hplc) |
| NCGC00387475-04 |
| NCGC00387475-02 |
| (s)-4-(4-(benzofuran-5-yl)phenyl)-5-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-2,4-dihydro-3h-1,2,4-triazol-3-one |
| nsc-792955 |
| nsc792955 |
| 3h-1,2,4-triazol-3-one, 4-[4-(5-benzofuranyl)phenyl]-5-[[(3s)-1-(cyclopropylcarbonyl)-3-pyrrolidinyl]methyl]-2,4-dihydro- |
| Q27453339 |
| MS-27586 |
| NCGC00387475-03 |
| EN300-203336 |
| 4-[4-(1-benzofuran-5-yl)phenyl]-3-{[(3s)-1-cyclopropanecarbonylpyrrolidin-3-yl]methyl}-4,5-dihydro-1h-1,2,4-triazol-5-one |
| 4-[4-(1-benzofuran-5-yl)phenyl]-5-{[(3s)-1-cyclopropanecarbonylpyrrolidin-3-yl]methyl}-2h-1,2,4-triazol-3-one |
| 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 | 6.7412 | 0.0123 | 7.9835 | 43.2770 | AID1645841 |
| G | Vesicular stomatitis virus | Potency | 6.7412 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 13.4504 | 0.0010 | 8.3798 | 61.1304 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 6.7412 | 0.0033 | 9.1582 | 39.8107 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 6.7412 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 6.7412 | 0.0123 | 8.9648 | 39.8107 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 6.7412 | 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) |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | Homo sapiens (human) | IC50 (µMol) | 0.0077 | 0.0077 | 2.4624 | 5.8000 | AID1800376 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| 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. |
| 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. |
| 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. |
| AID1347411 | qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary | 2020 | ACS chemical biology, 07-17, Volume: 15, Issue:7 | High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle. |
| AID1346105 | Human fatty acid synthase (2.3.1.- Acyltransferases) | 2014 | Nature chemical biology, Sep, Volume: 10, Issue:9 | A human fatty acid synthase inhibitor binds β-ketoacyl reductase in the keto-substrate site. |
| AID1800376 | FAS Assay No2 from Article 10.1038/nchembio.1603: \\A human fatty acid synthase inhibitor binds u00DF-ketoacyl reductase in the keto-substrate site.\\ | 2014 | Nature chemical biology, Sep, Volume: 10, Issue:9 | A human fatty acid synthase inhibitor binds β-ketoacyl reductase in the keto-substrate site. |
| [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 | 2 (33.33) | 24.3611 |
| 2020's | 4 (66.67) | 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 (21.93) 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 | 6 (100.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||