benefin: structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
benfluralin : A tertiany amino compound that is 2,6-dinitro-4-(trifluoromethyl)aniline in which the hydrogens attached to the aniline nitrogen have been replaced by one ethyl and one butyl group. It is used as a pre-emergence herbicide used for the control of grass and other weeds in a range of food and non-food crops. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 2319 |
| CHEMBL ID | 1256668 |
| CHEBI ID | 132878 |
| SCHEMBL ID | 55008 |
| MeSH ID | M0047830 |
| Synonym |
|---|
| KBIO1_001470 |
| DIVK1C_006526 |
| SPECTRUM_001829 |
| p-toluidine, n-butyl-n-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro- |
| benzenamine, n-butyl-n-ethyl-2,6-dinitro-4-(trifluoromethyl)- |
| SPECTRUM5_001962 |
| NCGC00094527-03 |
| NCGC00094527-01 |
| NCGC00094527-02 |
| epa pesticide chemical code 084301 |
| n-butyl-n-ethyl-2,6-dinitro-4-trifluoromethylaniline |
| n-butyl-n-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro-p-toluidine |
| quilan |
| binnell |
| benfluraline [iso-french] |
| benephin |
| balan |
| p-toluidine, n-butyl-n-ethyl-alpha,alpha,alpha-trifluoro-2,6-dinitro- |
| banafine |
| bethrodine |
| alpha,alpha,alpha-trifluoro-2,6-dinitro-n,n-ethylbutyl-p-toluidine |
| n-butyl n-ethyl-2,6-dinitro-4-(trifluoromethyl)benzeneamine |
| benalan |
| bonalan |
| emblem |
| brn 2821329 |
| hsdb 407 |
| benfluralin [bsi:iso] |
| blulan |
| n-butyl-n-ethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine |
| flubalex |
| einecs 217-465-2 |
| benefin [withdrawn] |
| balfin |
| benefex |
| el-110 |
| caswell no. 130 |
| l 54521 |
| benfluraline |
| carpidor |
| n-butyl-2,6-dinitro-n-ethyl-4-trifluoromethylaniline |
| KBIO2_004899 |
| KBIO2_007467 |
| KBIOGR_001069 |
| KBIO3_001849 |
| KBIOSS_002334 |
| KBIO2_002331 |
| SPBIO_001786 |
| SPECTRUM4_000665 |
| SPECPLUS_000430 |
| SPECTRUM3_000825 |
| SPECTRUM2_001883 |
| SPECTRUM330033 |
| n-butyl-n-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline |
| 1861-40-1 |
| benefin |
| benfluralin |
| BSPBIO_002349 |
| NCGC00094527-05 |
| NCGC00094527-04 |
| CHEBI:132878 |
| NCGC00094527-06 |
| NCGC00094527-07 |
| ccris 9242 |
| unii-28224buy6r |
| 28224buy6r , |
| CHEMBL1256668 |
| tox21_300774 |
| dtxcid203899 |
| dtxsid3023899 , |
| NCGC00259819-01 |
| NCGC00254678-01 |
| cas-1861-40-1 |
| tox21_202270 |
| CCG-39421 |
| FT-0603576 |
| AKOS015890700 |
| SCHEMBL55008 |
| benfluralin [hsdb] |
| benfluralin [mi] |
| benfluralin [iso] |
| n-n-butyl-n-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline |
| .alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-n,n-ethylbutyl-p-toluidine |
| n-butyl-n-ethyl-.alpha.,.alpha.,.alpha.-trifluoro-2,6-dinitro-p-toluidine |
| C21273 |
| benfluralin, pestanal(r), analytical standard |
| J-011946 |
| CS-0014140 |
| HY-B2045 |
| Q421520 |
| AS-56321 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " Previous studies have shown the toxic effects of benfluralin on non-target organisms; however, its developmental toxicity in vertebrates has not yet been reported." | ( Toxic effects of benfluralin on zebrafish embryogenesis via the accumulation of reactive oxygen species and apoptosis. An, G; Hong, T; Kim, M; Lim, W; Song, G, 2023) | 0.91 |
| Role | Description |
|---|---|
| herbicide | A substance used to destroy plant pests. |
| agrochemical | An agrochemical is a substance that is used in agriculture or horticulture. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| tertiary amino compound | A compound formally derived from ammonia by replacing three hydrogen atoms by organyl groups. |
| C-nitro compound | A nitro compound having the nitro group (-NO2) attached to a carbon atom. |
| organofluorine compound | An organofluorine compound is a compound containing at least one carbon-fluorine bond. |
| substituted aniline | |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| acetylcholinesterase | Homo sapiens (human) | Potency | 80.9419 | 0.0025 | 41.7960 | 15,848.9004 | AID1347398 |
| Microtubule-associated protein tau | Homo sapiens (human) | Potency | 25.1189 | 0.1800 | 13.5574 | 39.8107 | AID1468 |
| AR protein | Homo sapiens (human) | Potency | 69.6372 | 0.0002 | 21.2231 | 8,912.5098 | AID1259243 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 44.6920 | 0.0010 | 22.6508 | 76.6163 | AID1224839 |
| retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 36.9693 | 0.0030 | 41.6115 | 22,387.1992 | AID1159555 |
| retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 27.8153 | 0.0008 | 17.5051 | 59.3239 | AID1159527; AID588544 |
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 21.2009 | 0.0054 | 28.0263 | 1,258.9301 | AID1346982; AID720659 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 30.8956 | 0.0002 | 29.3054 | 16,493.5996 | AID743069 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 7.8978 | 0.0016 | 28.0151 | 77.1139 | AID1224843; AID1224895 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 61.0997 | 0.0003 | 23.4451 | 159.6830 | AID743065; AID743067 |
| mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0398 | 16.7842 | 39.8107 | AID1454 |
| cytochrome P450 3A4 isoform 1 | Homo sapiens (human) | Potency | 15.8489 | 0.0316 | 10.2792 | 39.8107 | AID884; AID885 |
| Gamma-aminobutyric acid receptor subunit pi | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 23.5272 | 0.0023 | 19.5956 | 74.0614 | AID651631 |
| Gamma-aminobutyric acid receptor subunit beta-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit delta | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit gamma-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-5 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-4 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit gamma-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-6 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit beta-3 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit beta-2 | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| GABA theta subunit | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| Gamma-aminobutyric acid receptor subunit epsilon | Rattus norvegicus (Norway rat) | Potency | 15.8489 | 1.0000 | 12.2248 | 31.6228 | AID885 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID977602 | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID522809 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin H28Q mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522808 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin F24H mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522814 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin T239I mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522816 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin R243S mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522812 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I235T mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522806 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin V4L mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522807 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin S6I mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522811 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I235L mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID977599 | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | 2013 | Molecular pharmacology, Jun, Volume: 83, Issue:6 | Structure-based identification of OATP1B1/3 inhibitors. |
| AID522813 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin I235V mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522805 | Antimicrobial activity against Toxoplasma gondii RH infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522815 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin R243C mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID522810 | Antimicrobial activity against Toxoplasma gondii RH containing alpha1-tubulin L136F mutation infected in HFF cells by plaque assay | 2010 | Antimicrobial agents and chemotherapy, Apr, Volume: 54, Issue:4 | Dinitroaniline activity in Toxoplasma gondii expressing wild-type or mutant alpha-tubulin. |
| AID1159550 | Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening | 2015 | Nature cell biology, Nov, Volume: 17, Issue:11 | 6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling. |
| AID1159607 | Screen for inhibitors of RMI FANCM (MM2) intereaction | 2016 | Journal of biomolecular screening, Jul, Volume: 21, Issue:6 | A High-Throughput Screening Strategy to Identify Protein-Protein Interaction Inhibitors That Block the Fanconi Anemia DNA Repair Pathway. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 2 (11.11) | 18.7374 |
| 1990's | 2 (11.11) | 18.2507 |
| 2000's | 3 (16.67) | 29.6817 |
| 2010's | 6 (33.33) | 24.3611 |
| 2020's | 5 (27.78) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (9.09%) | 6.00% |
| Case Studies | 1 (4.55%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 19 (86.36%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||