ID Source | ID |
---|---|
PubMed CID | 16681750 |
CHEMBL ID | 1407474 |
CHEBI ID | 167942 |
SCHEMBL ID | 15773392 |
Synonym |
---|
5-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoic acid |
CHEBI:167942 |
xi-3-hydroxy-5-phenylpentanoic acid o-beta-d-glucopyranoside |
MEGXP0_001073 |
ACON0_001487 |
ACON1_001072 |
smr000440688 |
MLS000877001 , |
NCGC00169704-01 |
BRD-A37584488-001-01-6 |
HMS2270F09 |
SCHEMBL15773392 |
5-phenyl-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]pentanoic acid |
3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-phenyl-pentanoic acid |
5-phenyl-3-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-valeric acid |
bdbm50578 |
cid_16681750 |
CHEMBL1407474 |
ncgc00169704-02_c17h24o8_benzenepentanoic acid, beta-(hexopyranosyloxy)- |
NCGC00169704-02 |
AKOS040739896 |
3-hydroxy-5-phenylpentanoic acid, o-?-d-glucopyran |
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 |
Class | Description |
---|---|
O-acyl carbohydrate | A carbohydrate derivative in which the hydrogen atom of at least one alcoholic hydroxy group of a carbohydrate has been replaced by an acyl substituent. |
[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) |
---|---|---|---|---|---|---|---|
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASE | Homo sapiens (human) | Potency | 0.3548 | 0.0032 | 45.4673 | 12,589.2998 | AID2517 |
Chain A, JmjC domain-containing histone demethylation protein 3A | Homo sapiens (human) | Potency | 8.9125 | 0.6310 | 35.7641 | 100.0000 | AID504339 |
Chain A, 2-oxoglutarate Oxygenase | Homo sapiens (human) | Potency | 25.1189 | 0.1778 | 14.3909 | 39.8107 | AID2147 |
Chain A, ATP-DEPENDENT DNA HELICASE Q1 | Homo sapiens (human) | Potency | 3.5481 | 0.1259 | 19.1169 | 125.8920 | AID2549 |
WRN | Homo sapiens (human) | Potency | 5.3111 | 0.1683 | 31.2583 | 100.0000 | AID651768; AID720497 |
GLS protein | Homo sapiens (human) | Potency | 1.9953 | 0.3548 | 7.9355 | 39.8107 | AID624170 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 28.1838 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
thioredoxin glutathione reductase | Schistosoma mansoni | Potency | 31.6228 | 0.1000 | 22.9075 | 100.0000 | AID485364 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 1.2589 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
bromodomain adjacent to zinc finger domain 2B | Homo sapiens (human) | Potency | 50.1187 | 0.7079 | 36.9043 | 89.1251 | AID504333 |
Bloom syndrome protein isoform 1 | Homo sapiens (human) | Potency | 1.5237 | 0.5406 | 17.6392 | 96.1227 | AID720503 |
lysosomal alpha-glucosidase preproprotein | Homo sapiens (human) | Potency | 39.8107 | 0.0366 | 19.6376 | 50.1187 | AID2100 |
galactokinase | Homo sapiens (human) | Potency | 46.4237 | 0.9431 | 15.2894 | 53.0367 | AID1868; AID2015 |
chromobox protein homolog 1 | Homo sapiens (human) | Potency | 8.9125 | 0.0060 | 26.1688 | 89.1251 | AID540317 |
nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 2.9093 | 0.0041 | 9.9848 | 25.9290 | AID504444 |
parathyroid hormone/parathyroid hormone-related peptide receptor precursor | Homo sapiens (human) | Potency | 39.8107 | 3.5481 | 19.5427 | 44.6684 | AID743266 |
importin subunit beta-1 isoform 1 | Homo sapiens (human) | Potency | 2.8184 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
DNA polymerase beta | Homo sapiens (human) | Potency | 0.7079 | 0.0224 | 21.0102 | 89.1251 | AID485314 |
flap endonuclease 1 | Homo sapiens (human) | Potency | 17.3989 | 0.1337 | 25.4129 | 89.1251 | AID588795; AID720498 |
snurportin-1 | Homo sapiens (human) | Potency | 2.8184 | 5.8048 | 36.1306 | 65.1308 | AID540263 |
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens (human) | Potency | 89.1251 | 0.4256 | 12.0591 | 28.1838 | AID504891 |
DNA polymerase eta isoform 1 | Homo sapiens (human) | Potency | 5.7427 | 0.1000 | 28.9256 | 213.3130 | AID588591; AID720502 |
DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 2.2231 | 0.0501 | 27.0736 | 89.1251 | AID588590; AID720496 |
DNA polymerase kappa isoform 1 | Homo sapiens (human) | Potency | 1.9953 | 0.0316 | 22.3146 | 100.0000 | AID588579 |
Rap guanine nucleotide exchange factor 3 | Homo sapiens (human) | Potency | 39.8107 | 6.3096 | 60.2008 | 112.2020 | AID720709 |
Adenosine receptor A1 | Rattus norvegicus (Norway rat) | Potency | 39.8107 | 0.0631 | 4.1371 | 15.8489 | AID1868 |
Alpha-synuclein | Homo sapiens (human) | Potency | 5.6234 | 0.5623 | 9.3985 | 25.1189 | AID652106 |
phosphoglycerate kinase | Trypanosoma brucei brucei TREU927 | Potency | 2.2897 | 0.0757 | 8.4742 | 29.0628 | AID602233; AID686980 |
ATP-dependent phosphofructokinase | Trypanosoma brucei brucei TREU927 | Potency | 26.8545 | 0.0601 | 10.7453 | 37.9330 | AID485367 |
[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) |
---|---|---|---|---|---|---|---|
integrase, partial | Human immunodeficiency virus 1 | IC50 (µMol) | 0.7447 | 0.0795 | 3.5203 | 9.9390 | AID1053171; AID1053172 |
lens epithelium-derived growth factor p75 | Homo sapiens (human) | IC50 (µMol) | 0.7447 | 0.0795 | 3.5203 | 9.9390 | AID1053171; AID1053172 |
Mcl-1 | Homo sapiens (human) | IC50 (µMol) | 1.6061 | 0.4000 | 7.1344 | 54.0000 | AID1417 |
Eukaryotic translation initiation factor 4H | Homo sapiens (human) | IC50 (µMol) | 23.6450 | 5.4300 | 17.2236 | 56.1900 | AID2012 |
polyadenylate-binding protein 1 | Homo sapiens (human) | IC50 (µMol) | 69.4300 | 4.9100 | 23.7029 | 76.1900 | AID2014 |
large T antigen | Betapolyomavirus macacae | IC50 (µMol) | 57.5700 | 0.1600 | 24.9724 | 100.0000 | AID1903 |
[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) |
---|---|---|---|---|---|---|---|
alkaline phosphatase, intestinal | Homo sapiens (human) | EC50 (µMol) | 59.2000 | 0.2570 | 26.8395 | 81.0000 | AID488873 |
alkaline phosphatase, tissue-nonspecific isozyme isoform 1 preproprotein | Homo sapiens (human) | EC50 (µMol) | 57.6000 | 0.2270 | 25.0904 | 86.8000 | AID488880 |
intestinal alkaline phosphatase precursor | Mus musculus (house mouse) | EC50 (µMol) | 33.7000 | 0.3820 | 42.4691 | 75.0000 | AID488783 |
alkaline phosphatase, germ cell type preproprotein | Homo sapiens (human) | EC50 (µMol) | 73.0000 | 0.5500 | 33.7339 | 74.0000 | AID488878 |
[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) |
---|---|---|---|---|---|---|---|
Caspase 6, apoptosis-related cysteine peptidase | Homo sapiens (human) | AC50 | 0.2830 | 0.0636 | 11.2358 | 44.9700 | AID720632 |
Caspase-7 | Homo sapiens (human) | AC50 | 30.9300 | 0.3710 | 17.0491 | 68.4900 | AID743295 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
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. |
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. |
AID1745845 | Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
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. |
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. |
[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 | 1 (12.50) | 29.6817 |
2010's | 4 (50.00) | 24.3611 |
2020's | 3 (37.50) | 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 weak demand-to-supply ratio for research on this compound.
| This Compound (12.25) 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 | 8 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |