1,1,1-trifluoro-6-(naphthalen-2-yl)hexan-2-one: inhibits Group VIA Ca(II)-independent phospholipase A2; structure in first source [MeSH]
| ID Source | ID |
|---|---|
| PubMed CID | 25060069 |
| CHEMBL ID | 1095003 |
| SCHEMBL ID | 3489194 |
| MeSH ID | M0593200 |
| Synonym |
|---|
| CHEMBL1095003 |
| SCHEMBL3489194 |
| fkgk18 |
| 1071001-09-6 |
| HY-115403 |
| NCGC00402329-01 |
| 1,1,1-trifluoro-6-(naphthalen-2-yl)hexan-2-one |
| AS-16820 |
| 1,1,1-trifluoro-6-(2-naphthalenyl)-2-hexanone |
| fkgk 18 |
| AKOS037643541 |
| NCGC00402329-02 |
| 1,1,1-trifluoro-6-naphthalen-2-ylhexan-2-one |
| vcwwtqmrnjsjgc-uhfffaoysa-n |
| CS-0085947 |
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) |
|---|---|---|---|---|
| G | Vesicular stomatitis virus | Potency | 9.5221 | AID1645842 |
| cytochrome P450 2D6 | Homo sapiens (human) | Potency | 23.9185 | AID1645840 |
| Interferon beta | Homo sapiens (human) | Potency | 9.5221 | AID1645842 |
| HLA class I histocompatibility antigen, B alpha chain | Homo sapiens (human) | Potency | 9.5221 | AID1645842 |
| Inositol hexakisphosphate kinase 1 | Homo sapiens (human) | Potency | 9.5221 | AID1645842 |
| cytochrome P450 2C9, partial | Homo sapiens (human) | Potency | 9.5221 | AID1645842 |
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID1346986 | P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen | 2019 | Molecular pharmacology, 11, Volume: 96, Issue:5 ISSN: 1521-0111 | 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 ISSN: 1521-0111 | A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. |
| AID1296008 | Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening | 2020 | SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1 ISSN: 2472-5560 | 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 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| 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 ISSN: 1091-6490 | Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors. |
| AID1602897 | Inhibition of human recombinant G5 sPLA2 at 0.091 mole fraction using arachidonyl-1-14C PAPC and PAPC by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay relative to control | 2019 | Journal of medicinal chemistry, 03-28, Volume: 62, Issue:6 ISSN: 1520-4804 | β-Lactones: A Novel Class of Ca |
| AID480969 | Inhibition of human group 5A cPLA2 at 0.091 mol fraction after 30 mins by Dole assay | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID1602893 | Inhibition of human recombinant G6A iPLA2 at 0.091 mole fraction using arachidonyl-1-14C PAPC and PAPC incubated for 30 mins by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay relative to control | 2019 | Journal of medicinal chemistry, 03-28, Volume: 62, Issue:6 ISSN: 1520-4804 | β-Lactones: A Novel Class of Ca |
| AID480973 | Inhibition of human recombinant group 6A iPLA2 expressed in Sf9 insect cells after 30 mins by Dole assay | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID480972 | Selectivity ratio for inhibition of human recombinant group 6A iPLA2 over inhibition of human group 5 sPLA2 | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID480971 | Selectivity ratio for inhibition of human recombinant group 6A iPLA2 over inhibition of human group 5A cPLA2 | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID480970 | Inhibition of human group 5 sPLA2 at 0.091 mol fraction after 30 mins | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID480968 | Inhibition of human recombinant group 6A iPLA2 expressed in Sf9 insect cells at 0.091 mol fraction after 30 mins by Dole assay | 2010 | Journal of medicinal chemistry, May-13, Volume: 53, Issue:9 ISSN: 1520-4804 | Potent and selective fluoroketone inhibitors of group VIA calcium-independent phospholipase A2. |
| AID1602895 | Inhibition of human recombinant G4A cPLA2 at 0.091 mole fraction using arachidonyl-1-14C PAPC PAPC and PIP2 incubated for 30 mins by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay | 2019 | Journal of medicinal chemistry, 03-28, Volume: 62, Issue:6 ISSN: 1520-4804 | β-Lactones: A Novel Class of Ca |
| AID1602894 | Inhibition of human recombinant G6A iPLA2 using arachidonyl-1-14C PAPC and PAPC incubated for 30 mins by HPLC-MS analysis based radioactivity-based group specific mixed micelle assay | 2019 | Journal of medicinal chemistry, 03-28, Volume: 62, Issue:6 ISSN: 1520-4804 | β-Lactones: A Novel Class of Ca |
| 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 | 5 (55.56) | 24.3611 |
| 2020's | 4 (44.44) | 2.80 |
| 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 | 9 (100.00%) | 84.16% |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1,1,1,2,2-pentafluoro-7-phenylheptan-3-one | benzenes | 2010 | 2019 | 9.5 | high | 0 | 0 | 0 | 1 | 1 | 0 |
| Substance | Studies | Classes | Roles | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| fluorine | diatomic fluorine; gas molecular entity | NMR chemical shift reference compound | 2010 | 2010 | 14.0 | medium | 0 | 0 | 0 | 1 | 0 | 0 | |
| alpha-chymotrypsin | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 | |||
| dinoprostone | prostaglandins E | human metabolite; mouse metabolite; oxytocic | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 | |
| 6-(bromomethylene)tetrahydro-3-(1-naphthaleneyl)-2h-pyran-2-one | naphthalenes | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| Condition | Indicated | Studies | First Year | Last Year | Average Age | Relationship Strength | Trials | pre-1990 | 1990's | 2000's | 2010's | post-2020 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Autoimmune Diabetes | 0 | 2015 | 2020 | 6.5 | medium | 0 | 0 | 0 | 0 | 2 | 0 | |
| Congenital Zika Syndrome | 0 | 2020 | 2020 | 4.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 | |
| Diabetes Mellitus | 0 | 2013 | 2013 | 11.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 | |
| Diabetes Mellitus, Type 1 | 0 | 2015 | 2020 | 6.5 | medium | 0 | 0 | 0 | 0 | 2 | 0 | |
| Disease Models, Animal | 0 | 2020 | 2020 | 4.0 | medium | 0 | 0 | 0 | 0 | 2 | 0 | |
| Infections, Salmonella | 0 | 2020 | 2020 | 4.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 | |
| Zika Virus Infection | 0 | 2020 | 2020 | 4.0 | medium | 0 | 0 | 0 | 0 | 1 | 0 |
| Article | Year |
|---|---|
| A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Molecular pharmacology, , Volume: 96, Issue:5 | 2019 |