Page last updated: 2024-12-05

secobarbital

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

Secobarbital: A barbiturate that is used as a sedative. Secobarbital is reported to have no anti-anxiety activity. [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

secobarbital : A member of the class of barbiturates that is barbituric acid in which the hydrogens at position 5 are substituted by prop-2-en-1-yl and pentan-2-yl groups. [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]

Cross-References

ID SourceID
PubMed CID5193
CHEMBL ID447
CHEBI ID9073
SCHEMBL ID80734
SCHEMBL ID11110602
MeSH IDM0019587

Synonyms (81)

Synonym
barbituric acid, 5-allyl-5-(1-methylbutyl)-
2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-pyrimidine-2,4,6(1h,3h,5h)-trione
5-allyl-5-(1-methylbutyl)-2,4,6(1h,3h,5h)-pyrimidinetrione
5-allyl-5-(1-methylbutyl)pyrimidine-2,4,6(1h,3h,5h)-trione
seconal
5-allyl-5-(1-methylbutyl)barbituric acid
secobarbital
CHEBI:9073 ,
secobarbitalum
5-(1-methylbutyl)-5-(2-propenyl)-2,4,6(1h,3h,5h)-pyrimidinetrione
(+-)-secobarbital
hypotrol
secobarbitone
5-allyl-5-(1-methylbutyl)barbiturate
hyptran
einecs 200-982-2
somosal
evronal
hsdb 3182
secobarbitale [dcit]
(+-)-5-allyl-5-(1-methylbutyl)-barbituric acid
brn 0225330
secobarbital suppository dosage form
meballymal
meballymalum
quinalbarbital
secobarbitalum [inn-latin]
2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propenyl)-, (+-)-
immenox
barbituric acid, 5-allyl-5-(1-methylbutyl)-, (+-)-
5-allyl-5-(1-methylbutyl)malonylurea
quinalbarbitone
DB00418
(+/-)-secobarbital
seconal (tn)
D00430
secobarbital (usp/inn)
76-73-3
somatarax
secobarbital cii
CHEMBL447
(rs)-secobarbital
secobarbital sodium free acid
5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
S0223
secobarbital suppository dosage form [dea no. 2316]
1p7h87in75 ,
unii-1p7h87in75
secobarbitale
5-24-09-00235 (beilstein handbook reference)
secobarbital [usp:inn]
(+/-)-quinalbarbitone
5-(1-methylbutyl)-5-(2-propen-1-yl)-2,4,6(1h,3h,5h)-pyrimidinetrione
29071-21-4
secobarbital [who-dd]
2,4,6(1h,3h,5h)-pyrimidinetrione, 5-(1-methylbutyl)-5-(2-propen-1-yl)-
secobarbital [usp impurity]
secobarbital [hsdb]
secobarbital [mart.]
secobarbital sodium free acid [mi]
secobarbital [inn]
secobarbital [usp-rs]
secobarbital [vandf]
gtpl7615
SCHEMBL80734
SCHEMBL11110602
DTXSID6044145
2,4,6(1h,3h,5h)-pyrimidinitrione, 5-(1-methylbutyl)-5-(2-propenyl)-
(.+/-.))-secobarbital
trisomnin (salt/mix)
hyptran (salt/mix)
imesonal (salt/mix)
immenoctal (salt/mix)
5-(pentan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
secobarbital, united states pharmacopeia (usp) reference standard
secobarbital, analytical standard
secobarbital 0.1 mg/ml in methanol
secobarbital 1.0 mg/ml in methanol
Q414788
secobarbital, 1mg/ml in methanol

Research Excerpts

Overview

Secobarbital (SB) is a relatively selective mechanism-based inactivator of cytochrome P450 2B1, that partitions between epoxidation and heme and protein modification. It is used in the treatment of preoperative anxiety and to manage elevated intracranial pressures and cerebral ischemia due to neurosurgical procedures.

ExcerptReferenceRelevance
"Secobarbital (SB) is a relatively selective mechanism-based inactivator of cytochrome P450 2B1, that partitions between epoxidation and heme and protein modification during its enzyme inactivation. "( Secobarbital-mediated inactivation of cytochrome P450 2B1 and its active site mutants. Partitioning between heme and protein alkylation and epoxidation.
Correia, MA; Halpert, JR; He, K; He, YA; Szklarz, GD, 1996
)
3.18
"Secobarbital is a hypnotic sedative that is used in the treatment of preoperative anxiety and to manage elevated intracranial pressures and cerebral ischemia due to neurosurgical procedures. "( Rapid simultaneous capillary electrophoretic determination of (R)- and (S)-secobarbital from serum and prediction of hydroxypropyl-gamma-cyclodextrin-secobarbital stereoselective interaction using molecular mechanics simulation.
Bartlett, MG; Srinivasan, K; Zhang, W, 1998
)
1.97

Actions

ExcerptReferenceRelevance
"Secobarbital produced an increase of 80% in SF and a relatively small average change in FR although there was considerable variability in the latter."( Influence of secobarbital and chlorpromazine on precentral neuron activity during attentive behavior in monkeys.
Mirsky, AF; Otero, JB, 1976
)
1.35

Toxicity

ExcerptReferenceRelevance
"Twenty-four hour LD50 values of secobarbital, pentobarbital, phenobarbital, in male Swiss-Webster mice weighing approximately 30 g each."( Twenty-four hour toxicity rhythms of sedative-hypnotic drugs in mice.
Ross, FH; Sermons, AL; Walker, CA, 1980
)
0.54

Pharmacokinetics

ExcerptReferenceRelevance
"The pharmacokinetic study of secobarbital in the rabbit utilizing gas chromatography (GC) indicated a correlation between blood levels and brain tissue levels; and that the distribution of the drug appears to be more complex than a first order process is suggested by the compartmental simulation midel."( Pharmacokinetics of secobarbital in rabbit.
McDonald, RH; Schumacher, DP; Somani, SM, 1975
)
0.87
"Two interactive computer programs, INTRAV and ORAL, were written to permit pharmacokinetic modeling of experimental data and to obtain pertinent values based on derived estimates."( INTRAV and ORAL: BASIC interactive computer programs for estimating pharmacokinetic parameters.
Hunter, S; Valentine, JL, 1985
)
0.27
"A computer program, PharmK, was developed for pharmacokinetic modeling of experimental data."( An interactive program for pharmacokinetic modeling.
Lu, DR; Mao, F, 1993
)
0.29

Compound-Compound Interactions

ExcerptReferenceRelevance
"To evaluate clinical therapeutic effect of post-stroke shoulder pain treated by acupuncture combined with Tuina."( [Double-center randomized controlled trial on post-stroke shoulder pain treated by electroacupuncture combined with Tuina].
Huang, L; Li, N; Qiao, XL; Tian, FW; Wang, CW; Wen, Q; Yu, PM; Zhou, X, 2012
)
0.38
", combined with traditional Tuina manipulations; in rehabilitation group, the rehabilitation methods such as the electrostimulation through nervus cutaneus and the squeezing and stabilizing manipulations of Proprioceptive Neuromuscular Facilitation (PNF), etc."( [Double-center randomized controlled trial on post-stroke shoulder pain treated by electroacupuncture combined with Tuina].
Huang, L; Li, N; Qiao, XL; Tian, FW; Wang, CW; Wen, Q; Yu, PM; Zhou, X, 2012
)
0.38
" The comprehensive treatment of fire needles at bones combined with cupping and Tuina on local area of affected knee was applied in the comprehensive group."( [Clinical observation on fire needles at bones combined with cupping and Tuina for knee osteoarthritistis].
Gao, YL; Guo, JX; Yao, JH, 2013
)
0.39
"The comprehensive treatment of fire needles at bones combined with cupping and Tuina, considered as a better therapy for knee osteoarthritis, could improve joint pain, swelling and action function, which is superior to the conventional acupuncture."( [Clinical observation on fire needles at bones combined with cupping and Tuina for knee osteoarthritistis].
Gao, YL; Guo, JX; Yao, JH, 2013
)
0.39

Bioavailability

ExcerptReferenceRelevance
" The rate of absorption of secobarbital, as measured by the time to reach peak serum concentration, was much more rapid from the solution than the suppository (0."( Rectal absorption and disposition of secobarbital in epileptic children.
Cohen, ME; Duffner, PK; Karpynec, R; Lacey, DJ; Levine, HL; Shen, DD, 1982
)
0.83

Dosage Studied

Intravenous supplementation of the sedation was limited by the protocol to a maximum secobarbital dosage of 2 mg/kg. An increase or decrease in the dosage has no effect on the pharmacokinetics. All barbiturates studied inhibit development of spontaneous mechanical activity.

ExcerptRelevanceReference
"3 PB, tested at concentrations up to 80 muM, produced variable effects on the dose-response curve to GABA."( Reversal of the action of amino acid antagonists by barbiturates and other hypnotic drugs.
Bowery, NG; Dray, A, 1978
)
0.26
"A very easy, reliable and specific gas-chromatographic method for identification and dosage of 11 barbiturates in plasma is presented."( Routine identification and determination of 11 barbiturates in biological samples.
Faure, J; Feuerstein, C; Gavend, M; Vincent, F, 1979
)
0.26
" Dose-response differences were also revealed in "breaking point" comparisons between secobarbital on the one hand, and methylphenidate and cocaine, on the other."( Behavioral procedures for evaluating the relative abuse potential of CNS drugs in primates.
Brady, JV; Griffiths, RR, 1976
)
0.48
" The two dose levels of secobarbital indicate the same relationship with blood and tissues, therefore an increase or decrease in the dosage has no effect on the pharmacokinetics of secobarbital."( Pharmacokinetics of secobarbital in rabbit.
McDonald, RH; Schumacher, DP; Somani, SM, 1975
)
0.88
"Using isolated rat aortic strips (AS) and portal veins (PV), it was found that all of the barbiturates studied (thiopental, secobarbital, pentobarbital, amobarbital, phenobarbital, and barbital): a) inhibit development of spontaneous mechanical activity (vasomotion) in AS and PV in concentrations used to induce surgical anesthesia or concentrations used for anticonvulsive therapy; b) dose-dependent attenuate contractions induced by epinephrine and potassium (K+); c) cause non-competitive displacement of the dose-response curves of these vasoactive compounds; d) attenuate calcium (Ca++)-induced contractions of K+-depolarized AS and PV; e) rapidly relax drug-induced, as well as Ca++-induced, contractions of AS and PV."( Barbiturates and aortic and venous smooth-muscle function.
Altura, BM; Altura, BT, 1975
)
0.46
" Secobarbital is commonly used in these patients, but dosage guidelines to avoid prolonged sedation are not available."( Prolonged sedation associated with secobarbital in newborn infants receiving ventilatory support.
Edwards, RC; Nahata, MC; Starling, S, 1991
)
1.47
" During experimental sessions, active drug or placebo was administered using an acute or divided dosing procedure."( Effect of d-amphetamine, secobarbital, and marijuana on choice behavior: social versus nonsocial options.
Heishman, SJ; Stitzer, ML, 1989
)
0.58
" After responding had stabilized, dose-response curves were determined for R-(+)-pentobarbital, S-(-)-pentobarbital, R-(+)-secobarbital, and S-(-)-secobarbital in both species."( Chronic administration of S-(-)-pentobarbital in pigeons and rats: tolerance development.
Wenger, GR, 1988
)
0.48
" After responding had stabilized, dose-response curves were determined in both groups for (S)-(-)-pentobarbital (0."( Discriminative stimulus properties of the isomers of pentobarbital and secobarbital in pigeons.
Wenger, GR, 1988
)
0.51
" Dose-response curves were determined separately for each isomer of pentobarbital (1-17."( Stereoselective behavioral effects of the isomers of pentobarbital and secobarbital in the pigeon.
Cunny, HC; Donald, JM; Wenger, GR, 1986
)
0.5
" This has been applied to the analysis of some of these drugs in plasma taken from patients after therapeutic dosage and over-dosage."( A rapid micro-method for the screening and measurement of barbiturates and related compounds in plasma by gas-liquid chromatography.
Flanagan, RJ; Withers, G, 1972
)
0.25
" One subject who was administered dextroamphetamine did not produce a wave consistent with amphetamine with a dosage of 5 mg."( Qualitative measurement of drugs.
Gilbert, LM; Golz, A; Komorowski, FS; Westerman, ST, 1984
)
0.27
" During this time it was necessary to administer theophylline at a dosage four times above that usually recommended."( Effect of secobarbital on theophylline clearance.
Blumer, NA; Maddox, RR; Paladino, JA, 1983
)
0.67
" Intravenous supplementation of the sedation was limited by the protocol to a maximum secobarbital dosage of 2 mg/kg."( The choice of sedation for computed tomography in children: a prospective evaluation.
Ashwal, S; Hasso, AN; Hinshaw, DB; Holden, BS; Schneider, S; Thompson, JR, 1982
)
0.49
" After trial and error, we found that a reduction of the dosage after long-term anesthesia with high-dose administrations of barbiturate should be made very slowly."( [Experience in managing refractory status epilepticus caused by viral encephalitis under long-term anesthesia with barbiturate: a case report].
Fujioka, Y; Ohori, N; Ohta, M, 1998
)
0.3
"This study evaluated a cumulative dosing procedure for drug discrimination with human participants."( Comparing single and cumulative dosing procedures in human triazolam discriminators.
Bickel, WK; Smith, BJ, 1999
)
0.3
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (3)

RoleDescription
anaesthesia adjuvantAny substance that possesses little anaesthetic effect by itself, but which enhances or potentiates the anaesthetic action of other drugs when given at the same time.
GABA modulatorA substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
sedativeA central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
[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]

Drug Classes (1)

ClassDescription
barbituratesMembers of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure.
[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 Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Matrix metalloproteinase-9Homo sapiens (human)IC50 (µMol)2.64300.00000.705310.0000AID625178
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (30)

Processvia Protein(s)Taxonomy
skeletal system developmentMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of protein phosphorylationMatrix metalloproteinase-9Homo sapiens (human)
proteolysisMatrix metalloproteinase-9Homo sapiens (human)
apoptotic processMatrix metalloproteinase-9Homo sapiens (human)
embryo implantationMatrix metalloproteinase-9Homo sapiens (human)
cell migrationMatrix metalloproteinase-9Homo sapiens (human)
extracellular matrix disassemblyMatrix metalloproteinase-9Homo sapiens (human)
macrophage differentiationMatrix metalloproteinase-9Homo sapiens (human)
collagen catabolic processMatrix metalloproteinase-9Homo sapiens (human)
cellular response to reactive oxygen speciesMatrix metalloproteinase-9Homo sapiens (human)
endodermal cell differentiationMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of apoptotic processMatrix metalloproteinase-9Homo sapiens (human)
negative regulation of apoptotic processMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of DNA bindingMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of epidermal growth factor receptor signaling pathwayMatrix metalloproteinase-9Homo sapiens (human)
ephrin receptor signaling pathwayMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of keratinocyte migrationMatrix metalloproteinase-9Homo sapiens (human)
cellular response to lipopolysaccharideMatrix metalloproteinase-9Homo sapiens (human)
cellular response to cadmium ionMatrix metalloproteinase-9Homo sapiens (human)
cellular response to UV-AMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of release of cytochrome c from mitochondriaMatrix metalloproteinase-9Homo sapiens (human)
regulation of neuroinflammatory responseMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of receptor bindingMatrix metalloproteinase-9Homo sapiens (human)
response to amyloid-betaMatrix metalloproteinase-9Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferationMatrix metalloproteinase-9Homo sapiens (human)
negative regulation of epithelial cell differentiation involved in kidney developmentMatrix metalloproteinase-9Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathwayMatrix metalloproteinase-9Homo sapiens (human)
negative regulation of cation channel activityMatrix metalloproteinase-9Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic signaling pathwayMatrix metalloproteinase-9Homo sapiens (human)
extracellular matrix organizationMatrix metalloproteinase-9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (9)

Processvia Protein(s)Taxonomy
endopeptidase activityMatrix metalloproteinase-9Homo sapiens (human)
metalloendopeptidase activityMatrix metalloproteinase-9Homo sapiens (human)
serine-type endopeptidase activityMatrix metalloproteinase-9Homo sapiens (human)
protein bindingMatrix metalloproteinase-9Homo sapiens (human)
collagen bindingMatrix metalloproteinase-9Homo sapiens (human)
peptidase activityMatrix metalloproteinase-9Homo sapiens (human)
metallopeptidase activityMatrix metalloproteinase-9Homo sapiens (human)
zinc ion bindingMatrix metalloproteinase-9Homo sapiens (human)
identical protein bindingMatrix metalloproteinase-9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Processvia Protein(s)Taxonomy
extracellular regionMatrix metalloproteinase-9Homo sapiens (human)
extracellular spaceMatrix metalloproteinase-9Homo sapiens (human)
collagen-containing extracellular matrixMatrix metalloproteinase-9Homo sapiens (human)
extracellular exosomeMatrix metalloproteinase-9Homo sapiens (human)
tertiary granule lumenMatrix metalloproteinase-9Homo sapiens (human)
ficolin-1-rich granule lumenMatrix metalloproteinase-9Homo sapiens (human)
extracellular spaceMatrix metalloproteinase-9Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (31)

Assay IDTitleYearJournalArticle
AID625285Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625286Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID26320pKa value is evaluated1983Journal of medicinal chemistry, Jul, Volume: 26, Issue:7
A simplified high-pressure liquid chromatography method for determining lipophilicity for structure-activity relationships.
AID384956Dissociation constant, pKa of the compound2008Journal of medicinal chemistry, May-22, Volume: 51, Issue:10
Molecular characteristics for solid-state limited solubility.
AID384955Intrinsic aqueous solubility at pH 10 by shake-flask method2008Journal of medicinal chemistry, May-22, Volume: 51, Issue:10
Molecular characteristics for solid-state limited solubility.
AID1130945Inhibition of Arbacia egg cell division1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Correlation of biological activity and high-pressure liquid chromatographic retention index for a series of propranolol, barbiturate, and anthranilic acid analogues.
AID169097Negative log of molar concentration (-log C) required to produce 50% inhibition of oxygen (oxygen uptake) on rat brain respiration in vitro1983Journal of medicinal chemistry, Jul, Volume: 26, Issue:7
A simplified high-pressure liquid chromatography method for determining lipophilicity for structure-activity relationships.
AID588220Literature-mined public compounds from Kruhlak et al phospholipidosis modelling dataset2008Toxicology mechanisms and methods, , Volume: 18, Issue:2-3
Development of a phospholipidosis database and predictive quantitative structure-activity relationship (QSAR) models.
AID38914Negative log of molar concentration (-log ED50) required to reduce cell division by 50% in Arbacia egg1983Journal of medicinal chemistry, Jul, Volume: 26, Issue:7
A simplified high-pressure liquid chromatography method for determining lipophilicity for structure-activity relationships.
AID625289Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID167610Negative log of minimum effective dose (moles per kilogram) in rabbits (hypnotic)1983Journal of medicinal chemistry, Jul, Volume: 26, Issue:7
A simplified high-pressure liquid chromatography method for determining lipophilicity for structure-activity relationships.
AID625287Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625282Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID205268Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea pig cerebral cortex at 10 uM1985Journal of medicinal chemistry, Mar, Volume: 28, Issue:3
[3H]Batrachotoxinin A 20 alpha-benzoate binding to voltage-sensitive sodium channels: a rapid and quantitative assay for local anesthetic activity in a variety of drugs.
AID1474166Liver toxicity in human assessed as induction of drug-induced liver injury by measuring severity class index2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID625290Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625292Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1130944Hypnotic activity in rabbit1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Correlation of biological activity and high-pressure liquid chromatographic retention index for a series of propranolol, barbiturate, and anthranilic acid analogues.
AID625281Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1474167Liver toxicity in human assessed as induction of drug-induced liver injury by measuring verified drug-induced liver injury concern status2016Drug discovery today, Apr, Volume: 21, Issue:4
DILIrank: the largest reference drug list ranked by the risk for developing drug-induced liver injury in humans.
AID625279Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID237685Lipophilicity determined as logarithm of the partition coefficient in the alkane/water system2005Journal of medicinal chemistry, May-05, Volume: 48, Issue:9
Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).
AID625291Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625280Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID624687Mechanism based inhibition of rat cytochrome P450 CYP2B12005Current drug metabolism, Oct, Volume: 6, Issue:5
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.
AID1130943Octanol-water partition coefficient, log P of nonionized form of compound1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Correlation of biological activity and high-pressure liquid chromatographic retention index for a series of propranolol, barbiturate, and anthranilic acid analogues.
AID625283Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1130940Retention index of the compound by HPLC method1979Journal of medicinal chemistry, Nov, Volume: 22, Issue:11
Correlation of biological activity and high-pressure liquid chromatographic retention index for a series of propranolol, barbiturate, and anthranilic acid analogues.
AID24211Compound is evaluated for ionization constant log k1983Journal of medicinal chemistry, Jul, Volume: 26, Issue:7
A simplified high-pressure liquid chromatography method for determining lipophilicity for structure-activity relationships.
AID625284Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625288Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice2011PLoS computational biology, Dec, Volume: 7, Issue:12
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (646)

TimeframeStudies, This Drug (%)All Drugs %
pre-1990567 (87.77)18.7374
1990's48 (7.43)18.2507
2000's15 (2.32)29.6817
2010's14 (2.17)24.3611
2020's2 (0.31)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 58.30

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 very strong demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index58.30 (24.57)
Research Supply Index6.73 (2.92)
Research Growth Index4.25 (4.65)
Search Engine Demand Index99.52 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (58.30)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials114 (15.86%)5.53%
Reviews14 (1.95%)6.00%
Case Studies37 (5.15%)4.05%
Observational0 (0.00%)0.25%
Other554 (77.05%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]