Pentabromophenol (PBP) is a brominated phenolic compound that is a potent biocide and flame retardant. It is synthesized through the bromination of phenol with bromine in the presence of a catalyst, typically iron or iron(III) bromide. PBP is highly effective against a broad spectrum of microorganisms, including bacteria, fungi, and algae. Its antimicrobial properties are attributed to its ability to disrupt cell membranes and interfere with essential metabolic processes. However, PBP also exhibits toxicity to aquatic organisms and has been linked to endocrine disruption in humans. Concerns about its environmental and health effects have led to regulations restricting its use in various applications. PBP is studied extensively to understand its environmental fate, toxicity, and potential for bioaccumulation. Research focuses on developing alternative biocides and exploring methods for its removal from contaminated environments. The compound's importance lies in its historical use in various industries, but current research emphasizes finding sustainable solutions to minimize its environmental impact.'
ID Source | ID |
---|---|
PubMed CID | 11852 |
CHEMBL ID | 1235157 |
SCHEMBL ID | 268325 |
MeSH ID | M0257948 |
Synonym |
---|
v89a88nmmx , |
3-06-00-00766 (beilstein handbook reference) |
unii-v89a88nmmx |
phenol, 2,3,4,5,6-pentabromo- |
pentabromfenol |
smr001224527 |
MLS002152927 |
CHEMBL1235157 |
flammex 5bp |
wln: qr be ce de ee fe |
nsc5717 |
phenol, pentabromo- |
nsc-5717 |
608-71-9 |
pentabromophenol |
NCGC00090884-01 |
einecs 210-167-3 |
brn 1876757 |
nsc 5717 |
pentabromfenol [czech] |
2,3,4,5,6-pentabromophenol |
ai3-01561 |
ccris 4853 |
hsdb 5500 |
PBR , |
pentabromophenol, 96% |
DB03167 |
1E4H |
AKOS003672224 |
2,3,4,5,6-pentakis(bromanyl)phenol |
A832934 |
NCGC00090884-02 |
cas-608-71-9 |
NCGC00257893-01 |
tox21_200339 |
dtxcid902079 |
dtxsid9022079 , |
bromophenasic acid |
perbromophenol |
pentabromophenol [hsdb] |
pentabromphenol |
SCHEMBL268325 |
2,3,4,5,6-pentabromophenol # |
mfcd00002147 |
FT-0739390 |
Q27094104 |
AS-13066 |
D94773 |
4-n-butylbenzoicacid |
SY317359 |
CS-0157960 |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, HADH2 protein | Homo sapiens (human) | Potency | 20.8114 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain B, HADH2 protein | Homo sapiens (human) | Potency | 20.8114 | 0.0251 | 20.2376 | 39.8107 | AID886; AID893 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 79.4328 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 39.8107 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
Chain A, Cruzipain | Trypanosoma cruzi | Potency | 39.8107 | 0.0020 | 14.6779 | 39.8107 | AID1476 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 90.0148 | 0.0072 | 15.7588 | 89.3584 | AID1224835 |
interleukin 8 | Homo sapiens (human) | Potency | 74.9780 | 0.0473 | 49.4806 | 74.9780 | AID651758 |
thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 31.6228 | 0.1000 | 20.8793 | 79.4328 | AID588453 |
15-lipoxygenase, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0126 | 10.6917 | 88.5700 | AID887 |
pregnane X receptor | Rattus norvegicus (Norway rat) | Potency | 50.1187 | 0.0251 | 27.9203 | 501.1870 | AID651751 |
hypoxia-inducible factor 1 alpha subunit | Homo sapiens (human) | Potency | 52.3097 | 3.1890 | 29.8841 | 59.4836 | AID1224846; AID1224894 |
RAR-related orphan receptor gamma | Mus musculus (house mouse) | Potency | 30.9151 | 0.0060 | 38.0041 | 19,952.5996 | AID1159521; AID1159523 |
USP1 protein, partial | Homo sapiens (human) | Potency | 31.6228 | 0.0316 | 37.5844 | 354.8130 | AID743255 |
TDP1 protein | Homo sapiens (human) | Potency | 21.8369 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
GLI family zinc finger 3 | Homo sapiens (human) | Potency | 19.4492 | 0.0007 | 14.5928 | 83.7951 | AID1259369; AID1259392 |
AR protein | Homo sapiens (human) | Potency | 45.1809 | 0.0002 | 21.2231 | 8,912.5098 | AID1259243; AID1259247; AID588515; AID743035; AID743063 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 3.5481 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
Smad3 | Homo sapiens (human) | Potency | 35.4813 | 0.0052 | 7.8098 | 29.0929 | AID588855 |
aldehyde dehydrogenase 1 family, member A1 | Homo sapiens (human) | Potency | 39.8107 | 0.0112 | 12.4002 | 100.0000 | AID1030 |
hypoxia-inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) | Homo sapiens (human) | Potency | 39.8107 | 0.0013 | 7.7625 | 44.6684 | AID2120 |
PINK1 | Homo sapiens (human) | Potency | 50.1187 | 2.8184 | 18.8959 | 44.6684 | AID624263 |
estrogen receptor 2 (ER beta) | Homo sapiens (human) | Potency | 25.9789 | 0.0006 | 57.9133 | 22,387.1992 | AID1259377; AID1259378 |
nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 69.0083 | 0.0010 | 22.6508 | 76.6163 | AID1224893 |
progesterone receptor | Homo sapiens (human) | Potency | 48.2405 | 0.0004 | 17.9460 | 75.1148 | AID1346784; AID1346795 |
glucocorticoid receptor [Homo sapiens] | Homo sapiens (human) | Potency | 38.5911 | 0.0002 | 14.3764 | 60.0339 | AID588533; AID720691; AID720692 |
retinoic acid nuclear receptor alpha variant 1 | Homo sapiens (human) | Potency | 59.7836 | 0.0030 | 41.6115 | 22,387.1992 | AID1159552; AID1159555 |
retinoid X nuclear receptor alpha | Homo sapiens (human) | Potency | 0.7814 | 0.0008 | 17.5051 | 59.3239 | AID1159527 |
estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 32.7820 | 0.0015 | 30.6073 | 15,848.9004 | AID1224841; AID1224842; AID1224848; AID1224849; AID1259401; AID1259403 |
farnesoid X nuclear receptor | Homo sapiens (human) | Potency | 30.0056 | 0.3758 | 27.4851 | 61.6524 | AID588526; AID588527; AID743217 |
pregnane X nuclear receptor | Homo sapiens (human) | Potency | 61.5038 | 0.0054 | 28.0263 | 1,258.9301 | AID1346982 |
estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 30.8366 | 0.0002 | 29.3054 | 16,493.5996 | AID1259244; AID1259248; AID588513; AID588514; AID743069; AID743075; AID743078; AID743079; AID743091 |
Parkin | Homo sapiens (human) | Potency | 50.1187 | 0.8199 | 14.8306 | 44.6684 | AID624263 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 56.2341 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
peroxisome proliferator-activated receptor delta | Homo sapiens (human) | Potency | 31.8576 | 0.0010 | 24.5048 | 61.6448 | AID588535; AID743212; AID743215 |
peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 13.7345 | 0.0010 | 19.4141 | 70.9645 | AID588537; AID743094; AID743191 |
vitamin D (1,25- dihydroxyvitamin D3) receptor | Homo sapiens (human) | Potency | 40.8230 | 0.0237 | 23.2282 | 63.5986 | AID588541; AID743222; AID743223; AID743241 |
IDH1 | Homo sapiens (human) | Potency | 25.9290 | 0.0052 | 10.8652 | 35.4813 | AID686970 |
aryl hydrocarbon receptor | Homo sapiens (human) | Potency | 20.9096 | 0.0007 | 23.0674 | 1,258.9301 | AID743085; AID743122 |
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_a | Homo sapiens (human) | Potency | 77.4286 | 0.0017 | 23.8393 | 78.1014 | AID743083 |
thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 69.0083 | 0.0016 | 28.0151 | 77.1139 | AID1224895; AID1259395 |
activating transcription factor 6 | Homo sapiens (human) | Potency | 15.5906 | 0.1434 | 27.6121 | 59.8106 | AID1159516 |
thyrotropin-releasing hormone receptor | Homo sapiens (human) | Potency | 30.3520 | 0.1549 | 17.8702 | 43.6557 | AID1346877 |
nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a | Homo sapiens (human) | Potency | 8.7673 | 19.7391 | 45.9784 | 64.9432 | AID1159509 |
Histone H2A.x | Cricetulus griseus (Chinese hamster) | Potency | 125.2405 | 0.0391 | 47.5451 | 146.8240 | AID1224845; AID1224896 |
15-hydroxyprostaglandin dehydrogenase [NAD(+)] isoform 1 | Homo sapiens (human) | Potency | 10.0000 | 0.0018 | 15.6638 | 39.8107 | AID894 |
vitamin D3 receptor isoform VDRA | Homo sapiens (human) | Potency | 89.1251 | 0.3548 | 28.0659 | 89.1251 | AID504847 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 29.0929 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 50.1187 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
potassium voltage-gated channel subfamily H member 2 isoform d | Homo sapiens (human) | Potency | 22.3872 | 0.0178 | 9.6374 | 44.6684 | AID588834 |
thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 11.3984 | 0.0003 | 23.4451 | 159.6830 | AID743065; AID743067 |
heat shock protein beta-1 | Homo sapiens (human) | Potency | 9.8370 | 0.0420 | 27.3789 | 61.6448 | AID743210 |
mitogen-activated protein kinase 1 | Homo sapiens (human) | Potency | 39.8107 | 0.0398 | 16.7842 | 39.8107 | AID995 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 50.1187 | 0.1337 | 25.4129 | 89.1251 | AID588795 |
serine/threonine-protein kinase PLK1 | Homo sapiens (human) | Potency | 26.6795 | 0.1683 | 16.4040 | 67.0158 | AID720504 |
nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 37.1718 | 0.0006 | 27.2152 | 1,122.0200 | AID720636; AID743202; AID743219 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 22.3872 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.1000 | 28.9256 | 213.3130 | AID588591 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 14.1254 | 0.0501 | 27.0736 | 89.1251 | AID588590 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 22.3872 | 0.0079 | 8.2332 | 1,122.0200 | AID2546 |
geminin | Homo sapiens (human) | Potency | 16.3601 | 0.0046 | 11.3741 | 33.4983 | AID624296 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 89.1251 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
Vpr | Human immunodeficiency virus 1 | Potency | 10.0000 | 1.5849 | 19.6264 | 63.0957 | AID651644 |
histone acetyltransferase KAT2A isoform 1 | Homo sapiens (human) | Potency | 23.0445 | 0.2512 | 15.8432 | 39.8107 | AID504327; AID588347 |
Voltage-dependent calcium channel gamma-2 subunit | Mus musculus (house mouse) | Potency | 34.5861 | 0.0015 | 57.7890 | 15,848.9004 | AID1259244 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 70.7946 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 29.2542 | 0.0023 | 19.5956 | 74.0614 | AID651631; AID720552 |
Glutamate receptor 2 | Rattus norvegicus (Norway rat) | Potency | 34.5861 | 0.0015 | 51.7393 | 15,848.9004 | AID1259244 |
Alpha-synuclein | Homo sapiens (human) | Potency | 2.5119 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
Nuclear receptor ROR-gamma | Homo sapiens (human) | Potency | 66.8242 | 0.0266 | 22.4482 | 66.8242 | AID651802 |
TAR DNA-binding protein 43 | Homo sapiens (human) | Potency | 1.2589 | 1.7783 | 16.2081 | 35.4813 | AID652104 |
Rap guanine nucleotide exchange factor 4 | Homo sapiens (human) | Potency | 19.9526 | 3.9811 | 46.7448 | 112.2020 | AID720708 |
ATPase family AAA domain-containing protein 5 | Homo sapiens (human) | Potency | 6.9008 | 0.0119 | 17.9420 | 71.5630 | AID651632 |
Ataxin-2 | Homo sapiens (human) | Potency | 6.9008 | 0.0119 | 12.2221 | 68.7989 | AID651632 |
phosphoglycerate kinase | Trypanosoma brucei brucei TREU927 | Potency | 31.6228 | 0.0757 | 8.4742 | 29.0628 | AID602233 |
[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) | 6.3950 | 0.1660 | 5.6472 | 18.2000 | AID624326; AID624327 |
[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) |
---|---|---|---|---|---|---|---|
Chain A, Transthyretin | Homo sapiens (human) | Kd | 0.0039 | 0.0039 | 0.0134 | 0.0230 | AID977611 |
Chain A, Transthyretin | Homo sapiens (human) | Kd | 0.0039 | 0.0039 | 0.0134 | 0.0230 | AID977611 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
AID977611 | Experimentally measured binding affinity data (Kd) for protein-ligand complexes derived from PDB | 2000 | Acta crystallographica. Section D, Biological crystallography, Sep, Volume: 56, Issue:Pt 9 | Structure of human transthyretin complexed with bromophenols: a new mode of binding. |
AID1811 | Experimentally measured binding affinity data derived from PDB | 2000 | Acta crystallographica. Section D, Biological crystallography, Sep, Volume: 56, Issue:Pt 9 | Structure of human transthyretin complexed with bromophenols: a new mode of binding. |
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 1 (5.26) | 18.7374 |
1990's | 1 (5.26) | 18.2507 |
2000's | 3 (15.79) | 29.6817 |
2010's | 8 (42.11) | 24.3611 |
2020's | 6 (31.58) | 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 (22.60) 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 | 19 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |