Page last updated: 2024-12-08

rosuvastatin

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

Description

rosuvastatin : A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). [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 CID446157
CHEMBL ID1496
CHEBI ID38545
CHEBI ID93454
SCHEMBL ID2520
SCHEMBL ID154400
MeSH IDM0382713

Synonyms (75)

Synonym
gtpl2954
(3r,5s)-7-[4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
zd4522
zd-4522
(3r,5s,6e)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid
(3r,5s,6e)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid
(3r,5s,6e)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid
287714-41-4
CHEBI:38545 ,
BSPBIO_003429
rosuvastatin
FBI ,
DB01098
zd 4522
SPECTRUM1505213
SPECTRUM5_001695
NCGC00178070-01
6-heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3r,5s,6e)
chembl1496 ,
bdbm18372
(3r,5s,6e)-7-[4-(4-fluorophenyl)-2-(n-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
rosuvastatin [inn]
creston
x-plended
AKOS000280777
creston (tn)
D08492
rosuvastatin (inn)
HMS1922N09
7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl-methylsulfonyl-amino)-pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoic acid;rosuvastatin;rosuvastatin acid
A24862
CCG-40119
rosuvastatin [inn:ban]
hsdb 7317
413kh5zj73 ,
unii-413kh5zj73
(3r,5s,6e)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(methylsulfonyl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
rosuvastatin [who-dd]
6-heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, (3r,5s,6e)-
rosuvastatin [vandf]
rosuvastatin [hsdb]
rosuvastatin [mi]
AM84890
BRD-K82941592-001-01-3
HY-17504A
(3r,5s)-trans-7-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
(e)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3r,5s)-3,5-dihydroxyhept-6enoic acid
e-7-[2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl]-(3r,5s)-3,5-dihydroxyhept-6-enoic acid
(e)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl](3r,5s)-3,5-dihydroxyhept-6-enoic acid
(e)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-(3r,5s)-3,5-dihydroxyhept-6-enoic acid
e-(7-{2-(n-methyl-n-methanesulfonylamino)-4-(4-fluorophenyl)-6-isopropyl-pyrimidin-5-yl}-(3r,5s)-3,5-dihydroxy-hept-6-enoic acid]
BPRHUIZQVSMCRT-VEUZHWNKSA-N
SCHEMBL2520
SCHEMBL154400
DTXSID8048492 ,
(3r,5s,e)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(n-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
AC-30585
CHEBI:93454
SBI-0206727.P001
(3r,5s,6e)-7-[4-(4-fluorophenyl)-2-[(methanesulfonyl)(methyl)amino]-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Q415159
mfcd18783208
AS-12247
BRD-K82941592-238-02-9
S5072
6-heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (3r,5s,6e)-
1354641-88-5
(3r,5s)-7-[4-(4-fluorophenyl)-2-(n-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
EN300-20321882
EN300-370268
rosuvastatina
(3r,5s,6e)-7-(4-(4-fluorophenyl)-2-(methyl(methylsulfonyl)amino)-6-(propan-2-yl)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
c10aa07
dtxcid90820057
rosuvastatinum

Research Excerpts

Effects

ExcerptReferenceRelevance
"Rosuvastatin has been shown to be a comparatively potent inhibitor of HMG-CoA reductase activity in a purified preparation of the catalytic domain of the human enzyme, as well as in rat and human hepatic microsomes."( Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor.
Buckett, L; Davidson, R; Holdgate, G; McCormick, A; McTaggart, F; Schneck, D; Smith, G; Warwick, M, 2001
)
1.3

Pharmacokinetics

ExcerptReferenceRelevance
" pharmacokinetic data on 670 drugs representing, to our knowledge, the largest publicly available set of human clinical pharmacokinetic data."( Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
Lombardo, F; Obach, RS; Waters, NJ, 2008
)
0.35

Compound-Compound Interactions

ExcerptReferenceRelevance
"The hepatic organic anion transporting polypeptides (OATPs) influence the pharmacokinetics of several drug classes and are involved in many clinical drug-drug interactions."( Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
Artursson, P; Haglund, U; Karlgren, M; Kimoto, E; Lai, Y; Norinder, U; Vildhede, A; Wisniewski, JR, 2012
)
0.38

Bioavailability

ExcerptReferenceRelevance
"Oral bioavailability (F) is a product of fraction absorbed (Fa), fraction escaping gut-wall elimination (Fg), and fraction escaping hepatic elimination (Fh)."( Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
Chang, G; El-Kattan, A; Miller, HR; Obach, RS; Rotter, C; Steyn, SJ; Troutman, MD; Varma, MV, 2010
)
0.36
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (6)

RoleDescription
antilipemic drugA substance used to treat hyperlipidemia (an excess of lipids in the blood).
anti-inflammatory agentAny compound that has anti-inflammatory effects.
CETP inhibitorAny inhibitor of cholesterylester transfer protein (CETP), which transfers cholesterol from high density lipoproteins (HDL, the 'good' cholesterol-containing particles) to low or very low density lipoproteins (LDL or VLDL, the 'bad' cholesterol-containing particles). Inhibition of this process results in higher HDL levels and lower LDL levels. CETP inhibitors are under investigation as potential drugs to reduce the risk of arteriosclerotic vascular disease (atherosclerosis).
cardioprotective agentAny protective agent that is able to prevent damage to the heart.
xenobioticA xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
environmental contaminantAny minor or unwanted substance introduced into the environment that can have undesired effects.
[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 (5)

ClassDescription
pyrimidinesAny compound having a pyrimidine as part of its structure.
sulfonamideAn amide of a sulfonic acid RS(=O)2NR'2.
dihydroxy monocarboxylic acidAny hydroxy monocarboxylic acid carrying at least two hydroxy groups.
statin (synthetic)A statin which does not occur naturally and which is not obtained by chemical transformation of a naturally occurring statin.
monofluorobenzenesAny member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.
[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]

Pathways (1)

PathwayProteinsCompounds
Rosuvastatin Action Pathway2143

Protein Targets (3)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)IC50 (µMol)0.00450.00000.79498.9000AID241168; AID241793; AID308508
3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)Ki35.50040.00090.00830.0235AID238540; AID238872
3-hydroxy-3-methylglutaryl-coenzyme A reductase Rattus norvegicus (Norway rat)IC50 (µMol)0.00320.00090.20949.0300AID1797730; AID1797731; AID1798004; AID1798163; AID300167; AID313910; AID384740
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)Kd1.25000.00110.84852.9000AID1154659
3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)Kd0.01700.01700.01700.0170AID339211
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (11)

Processvia Protein(s)Taxonomy
visual perceptionRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
cholesterol biosynthetic process3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
visual learning3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
coenzyme A metabolic process3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
negative regulation of protein catabolic process3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
negative regulation of protein secretion3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
long-term synaptic potentiation3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
regulation of ERK1 and ERK2 cascade3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
negative regulation of amyloid-beta clearance3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
isoprenoid biosynthetic process3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
sterol biosynthetic process3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Processvia Protein(s)Taxonomy
GTPase inhibitor activityRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
protein bindingRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
small GTPase bindingRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
hydroxymethylglutaryl-CoA reductase (NADPH) activity3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
protein binding3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
GTPase regulator activity3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
NADPH binding3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
coenzyme A binding3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (9)

Processvia Protein(s)Taxonomy
cytosolRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
cytoskeletonRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
ciliumRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
cytoplasmic vesicle membraneRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
cytoplasmic vesicleRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
cytoplasmRetinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit deltaHomo sapiens (human)
peroxisomal membrane3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
endoplasmic reticulum3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
endoplasmic reticulum membrane3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
endoplasmic reticulum membrane3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
peroxisomal membrane3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (214)

Assay IDTitleYearJournalArticle
AID540299A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis2010Bioorganic & medicinal chemistry letters, Nov-01, Volume: 20, Issue:21
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.
AID588519A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities2011Antiviral research, Sep, Volume: 91, Issue:3
High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID1346822Human hydroxymethylglutaryl-CoA reductase (Lanosterol biosynthesis pathway)2001The American journal of cardiology, Mar-08, Volume: 87, Issue:5A
Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor.
AID1346822Human hydroxymethylglutaryl-CoA reductase (Lanosterol biosynthesis pathway)2005Biochemistry, Sep-06, Volume: 44, Issue:35
Binding thermodynamics of statins to HMG-CoA reductase.
AID1346822Human hydroxymethylglutaryl-CoA reductase (Lanosterol biosynthesis pathway)2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID1346838Rat hydroxymethylglutaryl-CoA reductase (Lanosterol biosynthesis pathway)2001The American journal of cardiology, Mar-08, Volume: 87, Issue:5A
Preclinical and clinical pharmacology of Rosuvastatin, a new 3-hydroxy-3-methylglutaryl coenzyme A reductase inhibitor.
AID1346822Human hydroxymethylglutaryl-CoA reductase (Lanosterol biosynthesis pathway)2001Science (New York, N.Y.), May-11, Volume: 292, Issue:5519
Structural mechanism for statin inhibition of HMG-CoA reductase.
AID1221970Efflux ratio of permeability from apical to basolateral side over basolateral to apical side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
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).
AID312173Inhibition of cholesterol synthesis in rat hepatocytes2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID558058Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry2009Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
Statins as potential antimalarial drugs: low relative potency and lack of synergy with conventional antimalarial drugs.
AID313844Inhibition of pig DPP42008Bioorganic & medicinal chemistry letters, Jan-15, Volume: 18, Issue:2
Inhibition of dipeptidyl peptidase-IV (DPP-IV) by atorvastatin.
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
AID1221740Drug uptake assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B3 at 1 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type in presence of 100 uM rifampicin OATP substrate/inhibitor2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1059150Organic anion transporter-mediated drug uptake in rat hepatocytes assessed as passive uptake2013Bioorganic & medicinal chemistry letters, Dec-15, Volume: 23, Issue:24
Discovery of an intravenous hepatoselective glucokinase activator for the treatment of inpatient hyperglycemia.
AID300167Inhibition of rat microsomal HMG-CoA reductase assessed as inhibition of cholesterol synthesis after 30 mins2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID241168Inhibitory concentration against HMG-CoA reductase2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase.
AID600341Inhibition of HMG-CoA reductase in human assessed as decrease in LDL-cholesterol level in plasma at 10 mg administered qd for 14 days relative to control2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1221969Apparent permeability from basolateral to apical side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1221738Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B3 at 1 uM at 37 degC for 3 mins cells pretreated with sodium butyrate by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID540210Clearance in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1221733Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B3 at 1 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID697692Drug uptake in rat hepatocytes in presence of pan OATP inhibitor rifamycin2012Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3
Discovery of (S)-6-(3-cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic acid as a hepatoselective glucokinase activator clinical candidate for treating type 2 diabetes mellitus.
AID385201Absorption in human gut2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID600042Drug uptake by rat hepatic OATP1A4 transporters expressed in CHO cells at 10 uM relative to wild type CHO cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID385211Myotoxicity in guinea pig assessed as drug dose causing >10 fold increase in plasma creatine kinase activity relative to control2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID384744Partition coefficient, log P by reverse phase HPLC method2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID600043Drug uptake by rat hepatic OATP1A1 transporters expressed in CHO cells at 10 uM relative to wild type CHO cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1221736Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B3 at 10 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1212341Cytotoxicity against human Fa2N-4 cells by lactate dehydrogenase assay2013Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 41, Issue:4
Lysosomal sequestration (trapping) of lipophilic amine (cationic amphiphilic) drugs in immortalized human hepatocytes (Fa2N-4 cells).
AID241793Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA).
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).
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).
AID599895Fraction unbound in rat liver at 1 uM2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID444053Renal clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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).
AID1698000Apparent permeability in dog MDCKII-LE cells at pH 7.4
AID599886Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes using [14C]HMG-CoA as substrate preincubated for 0.5 hrs before substrate addition measured after 0.75 hrs by beta scintillation counting2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID339212Inhibition of cholesterol synthesis in rat liver microsomes2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
AID1221853Inhibition of HMGCR activity in human hepatocytes assessed as mevalonate formed per mg of protein at 0.1 uM by GC-MS analysis (Rvb = 69 9 pmol/min)2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Inhibition of human sterol Δ7-reductase and other postlanosterol enzymes by LK-980, a novel inhibitor of cholesterol synthesis.
AID1221977Transporter substrate index of efflux ratio in human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
AID384745Partition coefficient, log P by octanol-water partitioning method2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1211554Biliary excretion index in sandwich cultured Sprague-Dawley rat hepatocytes after 15 mins by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID1698003Fraction unbound in rat plasma
AID1698009Hepatic clearance in cynomolgus monkey at < 1 mg/kg, iv administered as cassette dosing
AID384751Myotoxicity in guinea pig assessed as drug dose causing >2.5 fold increase in plasma creatine kinase activity relative to control2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID300168Inhibition of cholesterol synthesis in rat liver hepatocytes after 4 hrs2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID699539Inhibition of human liver OATP1B1 expressed in HEK293 Flp-In cells assessed as reduction in E17-betaG uptake at 20 uM by scintillation counting2012Journal of medicinal chemistry, May-24, Volume: 55, Issue:10
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID540213Half life in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID1698004Fraction unbound in cynomolgus monkey plasma
AID599892Lipophilicity, log D of the compound at pH 7.4 by shake flask method2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1221975Transporter substrate index ratio of permeability from apical to basolateral side in human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
AID1212314Drug uptake in lysosomes of human Fa2N-4 cells assessed as inhibition of LysoTracker Red fluorescence after 30 mins2013Drug metabolism and disposition: the biological fate of chemicals, Apr, Volume: 41, Issue:4
Lysosomal sequestration (trapping) of lipophilic amine (cationic amphiphilic) drugs in immortalized human hepatocytes (Fa2N-4 cells).
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.
AID588212Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID699541Inhibition of human liver OATP2B1 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E3S uptake at 20 uM incubated for 5 mins by scintillation counting2012Journal of medicinal chemistry, May-24, Volume: 55, Issue:10
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID558060Antimalarial activity against chloroquine-resistant Plasmodium falciparum E8B assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry2009Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
Statins as potential antimalarial drugs: low relative potency and lack of synergy with conventional antimalarial drugs.
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).
AID1221968Apparent permeability from apical to basolateral side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1079931Moderate liver toxicity, defined via clinical-chemistry results: ALT or AST serum activity 6 times the normal upper limit (N) or alkaline phosphatase serum activity of 1.7 N. Value is number of references indexed. [column 'BIOL' in source]
AID312180Reduction of LDL level in po dosed Hartley guinea pig plasma after 7 days2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
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).
AID1697999Dissociation constant, acidic pKa of compound measured up to 18 mins by capillary electrophoresis
AID308512Reduction in LDL cholesterol on cholestyramine-primed hamster serum at 10 mg/kg, po after 7 days2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID313916Ratio of Cmax for human to IC50 for rat L6 myocyte2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID339216Acute inhibition of cholesterol synthesis in mouse at 30 mg/kg2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
AID599887Inhibition of cholesterol synthesis in rat hepatocytes assessed as reduction of [14C]-cholesterol level using [14C]-acetic acid preincubated for 4 hrs before addition of [14C]-acetic acid by liquid scintillation counting2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID444050Fraction unbound in human plasma2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID444052Hepatic clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
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).
AID1698007Ratio of drug level in human blood to plasma administered through iv dosing by LC-MS/MS analysis
AID540209Volume of distribution at steady state in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID588211Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in humans2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID697691Drug uptake in human hepatocytes assessed per mg of protein2012Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3
Discovery of (S)-6-(3-cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic acid as a hepatoselective glucokinase activator clinical candidate for treating type 2 diabetes mellitus.
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID308510Inhibition of cholesterol synthesis in rat myocyte2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID339211Binding affinity to HMG-CoA reductase by isothermal calorimetry2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
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).
AID309287Inhibition of cholesterol synthesis in hamster at 10 mg/kg, po after 4 to 6 hrs relative to control2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID308508Inhibition of HMG-CoA reductase2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID384748Reduction in plasma total cholesterol level in guinea pig after 10 days2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1079936Choleostatic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is < 2 (see ACUTE). Value is number of references indexed. [column 'CHOLE' in source]
AID599890Inhibition of cholesterol synthesis in golden syrian hamster assessed as reduction of [14C]-cholesterol level at 10 mg/kg, po followed by 2 hrs after treated with 80 uCi, ip of [14C]-sodium acetate measured after 4 hrs by liquid scintillation counting rel2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID540211Fraction unbound in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID444056Fraction escaping gut-wall elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID600037Drug uptake by rat hepatic OATP1A1 transporters expressed in CHO cells at 1 uM relative to wild type CHO cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
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).
AID384743Selectivity index, ratio of IC50 for cholesterol synthesis in rat L6 cells to IC50 for cholesterol synthesis in rat hepatocytes2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID339214Inhibition of cholesterol synthesis in rat L6 myocytes2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
AID1059151Organic anion transporter-mediated drug uptake in rat hepatocytes assessed as total uptake2013Bioorganic & medicinal chemistry letters, Dec-15, Volume: 23, Issue:24
Discovery of an intravenous hepatoselective glucokinase activator for the treatment of inpatient hyperglycemia.
AID600337Drug uptake in sandwich-cultured rat hepatocytes assessed per mg of protein at 1 uM in presence of rifamycin SV2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID384741Inhibition of cholesterol synthesis in rat hepatocytes assessed as incorporation of [14C]acetate into cholesterol2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID385202Metabolic stability in human assessed as hepatic extraction2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID444054Oral bioavailability in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID444055Fraction absorbed in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID600036Drug uptake in sandwich-cultured rat hepatocytes assessed per mg of protein at 1 uM2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID444051Total clearance in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID238872Inhibitory constant against HMG-CoA reductase with alpha asarone2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase.
AID1221976Transporter substrate index ratio of permeability from basolateral to apical side in human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis in presence of 1 uM of BCRP inhibitor Ko1432011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1154659Binding affinity to His6-tagged PDE-delta (unknown origin) measured every 3 mins by fluorescence polarization assay2014Journal of medicinal chemistry, Jun-26, Volume: 57, Issue:12
Structure guided design and kinetic analysis of highly potent benzimidazole inhibitors targeting the PDEδ prenyl binding site.
AID1221734Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP2B1 at 1 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID425653Renal clearance in human2009Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15
Physicochemical determinants of human renal clearance.
AID1211548In vivo apparent biliary clearance in iv dosed Sprague-Dawley rat by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID1079941Liver damage due to vascular disease: peliosis hepatitis, hepatic veno-occlusive disease, Budd-Chiari syndrome. Value is number of references indexed. [column 'VASC' in source]
AID309284Inhibition of cholesterol synthesis in L6 myocytes2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
AID1221956Apparent permeability from apical to basolateral side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis2011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID313914Inhibition of acute cholesterol synthesis in mouse at 1 mg/kg2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID312177Inhibition of cholesterol synthesis in Golden Syrian hamster blood at 10 mg/kg, po after 4 to 6 hrs relative to control2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
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.
AID600336Drug uptake by human hepatic OATP2B1 transporter expressed in HEK293 cells at 10 uM relative to wild-type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID697690Drug uptake in rat hepatocytes assessed per mg of protein2012Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3
Discovery of (S)-6-(3-cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic acid as a hepatoselective glucokinase activator clinical candidate for treating type 2 diabetes mellitus.
AID1221957Apparent permeability from basolateral to apical side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis2011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID1211550In vivo intrinsic biliary clearance in iv dosed Sprague-Dawley rat by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID312178Reduction of LDL level in chow fed Hartley guinea pig serum at 20 mg/kg/day, po for 7 days relative to rosuvastatin2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID558059Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 assessed as Plasmodium lactate dehydrogenase release after 48 hrs by colorimetry2009Antimicrobial agents and chemotherapy, May, Volume: 53, Issue:5
Statins as potential antimalarial drugs: low relative potency and lack of synergy with conventional antimalarial drugs.
AID1698011Fraction unbound in human plasma
AID300172Inhibition of cholesterol synthesis in C57/BL6 mouse at 10 mg/kg, po by MAICS assay2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID599888Inhibition of cholesterol synthesis in rat L6 cells assessed as reduction of [14C]-cholesterol level using [14C]-acetic acid preincubated for 3 hrs before addition of [14C]-acetic acid by scintillation counting2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID599893Hypolipidemic activity in chow fed Hartley guinea pig assessed as reduction of LDL level administered orally for 7 days measured on day 8 after 2 hrs post dose2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID600040Drug uptake in sandwich-cultured human hepatocytes assessed per mg of protein at 1 uM2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID308509Inhibition of cholesterol synthesis in rat hepatocyte2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID313915Cmax in human2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID384742Inhibition of cholesterol synthesis in rat L6 cells assessed as incorporation of [14C]acetate into cholesterol2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1211549Unbound fraction in Sprague-Dawley rat plasma at 100 uM by equilibrium dialysis method2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID600342Cmax in human plasma at 10 mg administered qd for 14 days2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID599894Fraction unbound in rat plasma at 0.5 ug/ml2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID313913Selectivity, ratio of IC50 for rat hepatocyte to IC50 for rat L6 myocyte2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID444058Volume of distribution at steady state in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID600046Drug uptake by human hepatic OATP2B1 transporter expressed in HEK293 cells at 1 uM relative to wild-type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID339213Inhibition of cholesterol synthesis in rat hepatocytes2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
AID312176Inhibition of cholesterol synthesis in Goldern Syrian hamster blood at 10 mg/kg, po after 2 to 4 hrs relative to control2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID339215Ratio of IC50 for cholesterol synthesis in rat L6 myocytes to IC50 for cholesterol synthesis in rat hepatocytes2008Journal of medicinal chemistry, Jul-10, Volume: 51, Issue:13
Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.
AID313911Inhibition of cholesterol synthesis in rat hepatocyte2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID1698008Hepatic clearance in Wistar Hannover rat at 1 mg/kg, iv
AID308511Inhibition of acute cholesterol synthesis in mouse at 1 mg/kg2007Bioorganic & medicinal chemistry letters, Aug-15, Volume: 17, Issue:16
Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.
AID1698002Intrinsic clearance in cryopreserved human hepatocytes at 1 uM measured up to 120 mins by LC-MS/MS analysis
AID600340Inhibition of HMG-CoA reductase in human assessed as decrease in AUC (0 to 24 hrs) of mevalonate level in plasma at 10 mg administered qd for 14 days relative to control2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID600044Drug uptake by human hepatic OATP1B1 transporter expressed in HEK293 cells at 1 uM relative to wild type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID313918Reduction of LDL cholesterol level in syrian golden hamster plasma2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID540212Mean residence time in human after iv administration2008Drug metabolism and disposition: the biological fate of chemicals, Jul, Volume: 36, Issue:7
Trend analysis of a database of intravenous pharmacokinetic parameters in humans for 670 drug compounds.
AID599889Selectivity ratio of IC50 for cholesterol synthesis in rat hepatocytes to IC50 for cholesterol synthesis in rat L6 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1221735Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B1 at 10 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1079935Cytolytic liver toxicity, either proven histopathologically or where the ratio of maximal ALT or AST activity above normal to that of Alkaline Phosphatase is > 5 (see ACUTE). Value is number of references indexed. [column 'CYTOL' in source]
AID312174Inhibition of cholesterol synthesis in rat L6 cells2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID385189Myotoxicity in po dosed weanling Sprague-Dawley rat assessed as drug dose causing >2.5 fold increase in plasma creatine kinase activity relative to control2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
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).
AID1698010Hepatic clearance in human administered through iv dosing
AID313910Inhibition of rat microsomal HMGCoA reductase2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID238540Inhibitory constant against HMG-CoA reductase2005Bioorganic & medicinal chemistry letters, Feb-15, Volume: 15, Issue:4
Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase.
AID385190Safety index, ratio of ED50 for inhibition of hepatic cholesterol synthesis in Sprague-Dawley rat to drug dose not causing >2.5 fold increase in plasma creatine kinase level in weanling Sprague-Dawley rat2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1698005Ratio of drug level in Wistar Hannover rat blood to plasma administered through iv dosing by LC-MS/MS analysis
AID425652Total body clearance in human2009Journal of medicinal chemistry, Aug-13, Volume: 52, Issue:15
Physicochemical determinants of human renal clearance.
AID1079938Chronic liver disease either proven histopathologically, or through a chonic elevation of serum amino-transferase activity after 6 months. Value is number of references indexed. [column 'CHRON' in source]
AID600045Drug uptake by human hepatic OATP1B3 transporter expressed in HEK293 cells at 1 uM relative to wild-type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
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).
AID1211551Drug uptake in sandwich cultured Sprague-Dawley rat hepatocytes by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID313843Inhibition of pig DPP4 at 500 uM2008Bioorganic & medicinal chemistry letters, Jan-15, Volume: 18, Issue:2
Inhibition of dipeptidyl peptidase-IV (DPP-IV) by atorvastatin.
AID503308Antiproliferative activity against human PC3 cells at 30 uM after 120 hrs by MTT assay relative to DMSO2006Nature chemical biology, Jun, Volume: 2, Issue:6
Identifying off-target effects and hidden phenotypes of drugs in human cells.
AID1698006Ratio of drug level in cynomolgus monkey blood to plasma administered through iv dosing by LC-MS/MS analysis
AID600038Drug uptake by rat hepatic OATP1A4 transporters expressed in CHO cells at 1 uM relative to wild type CHO cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1211555In vitro apparent biliary clearance in sandwich cultured Sprague-Dawley rat hepatocytes after 15 mins by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID697693Drug uptake in human hepatocytes in presence of pan OATP inhibitor rifamycin2012Journal of medicinal chemistry, Feb-09, Volume: 55, Issue:3
Discovery of (S)-6-(3-cyclopentyl-2-(4-(trifluoromethyl)-1H-imidazol-1-yl)propanamido)nicotinic acid as a hepatoselective glucokinase activator clinical candidate for treating type 2 diabetes mellitus.
AID309283Inhibition of cholesterol synthesis in rat hepatocytes2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
AID300169Inhibition of cholesterol synthesis in rat L6 cells after 3 hrs2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID313912Inhibition of cholesterol synthesis in rat L6 myocyte2008Bioorganic & medicinal chemistry letters, Feb-01, Volume: 18, Issue:3
Hepatoselectivity of statins: design and synthesis of 4-sulfamoyl pyrroles as HMG-CoA reductase inhibitors.
AID309285Inhibition of cholesterol synthesis in hamster at 10 mg/kg, po after 2 to 4 hrs relative to control2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
AID1221737Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP2B1 at 10 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1210301Apparent intrinsic clearance in Sprague-Dawley rat hepatocytes assessed per 10'6 cells at 0.1 to 10 uM up to 90 mins by media-loss method2012Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8
Utility of drug depletion-time profiles in isolated hepatocytes for accessing hepatic uptake clearance: identifying rate-limiting steps and role of passive processes.
AID384747Inhibition of hepatic cholesterol synthesis in po dosed Sprague-Dawley rat assessed as incorporation of [14C]acetate into hepatic sterols2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID588213Literature-mined compound from Fourches et al multi-species drug-induced liver injury (DILI) dataset, effect in non-rodents2010Chemical research in toxicology, Jan, Volume: 23, Issue:1
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID384752Safety index, ratio of ED50 for reduction in plasma total cholesterol level to drug dose not causing >2.5 fold increase in plasma creatine kinase in guinea pig2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID599897Fraction unbound in human plasma at 0.5 ug/ml2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
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).
AID1221732Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B1 at 1 uM at 37 degC for 3 mins by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1221739Drug uptake ratio assessed as enzyme-mediated uptake in HEK293 cells expressing human OATP1B3 at 10 uM at 37 degC for 3 mins cells pretreated with sodium butyrate by liquid scintillation spectroscopy relative to wild type2011Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 39, Issue:1
Characterization of digoxin uptake in sandwich-cultured human hepatocytes.
AID1698001Lipophilicity, log D of the compound at pH 7.4 by by shake flask method
AID1221982Fraction absorbed in human2011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID600047Ratio of fAUC (0 to 24 hrs) in liver to plasma in Sprague-Dawley rat at 10 mg/kg, po2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
AID444057Fraction escaping hepatic elimination in human2010Journal of medicinal chemistry, Feb-11, Volume: 53, Issue:3
Physicochemical space for optimum oral bioavailability: contribution of human intestinal absorption and first-pass elimination.
AID1079945Animal toxicity known. [column 'TOXIC' in source]
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID1211553Drug uptake in iv dosed Sprague-Dawley rat liver after 5 hrs by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID599896Fraction unbound in dog plasma at 0.5 ug/ml2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID600338Drug uptake in sandwich-cultured human hepatocytes assessed per mg of protein at 1 uM in presence of rifamycin SV2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID312175Ratio of IC50 for cholesterol synthesis in rat myocytes to rat hepatocytes2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID699540Inhibition of human liver OATP1B3 expressed in HEK293 Flp-In cells assessed as reduction in [3H]E17-betaG uptake at 20 uM incubated for 5 mins by scintillation counting2012Journal of medicinal chemistry, May-24, Volume: 55, Issue:10
Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions.
AID1059149Organic anion transporter-mediated drug uptake in rat hepatocytes assessed as active uptake2013Bioorganic & medicinal chemistry letters, Dec-15, Volume: 23, Issue:24
Discovery of an intravenous hepatoselective glucokinase activator for the treatment of inpatient hyperglycemia.
AID1079933Acute liver toxicity defined via clinical observations and clear clinical-chemistry results: serum ALT or AST activity > 6 N or serum alkaline phosphatases activity > 1.7 N. This category includes cytolytic, choleostatic and mixed liver toxicity. Value is
AID384760Hepatotoxicity in guinea pig assessed as hepatocellular degeneration at >50 mg/kg2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
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).
AID1210299Apparent intrinsic clearance in Sprague-Dawley rat hepatocytes assessed per 10'6 cells at 0.1 to 10 uM up to 90 mins by conventional assay2012Drug metabolism and disposition: the biological fate of chemicals, Aug, Volume: 40, Issue:8
Utility of drug depletion-time profiles in isolated hepatocytes for accessing hepatic uptake clearance: identifying rate-limiting steps and role of passive processes.
AID600334Drug uptake by human hepatic OATP1B1 transporter expressed in HEK293 cells at 10 uM relative to wild type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID1221958Efflux ratio of permeability from apical to basolateral side over basolateral to apical side of human Caco2 cells at 10 uM up to 120 mins by HPLC-MC analysis2011Drug metabolism and disposition: the biological fate of chemicals, Feb, Volume: 39, Issue:2
Attenuation of intestinal absorption by major efflux transporters: quantitative tools and strategies using a Caco-2 model.
AID312172Inhibition of HMG-CoA reductase in Sprague-Dawley rat liver microsomes2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID300170Selectivity index, ratio of IC50 for rat L6 cells to IC50 for rat hepatocytes2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID600335Drug uptake by human hepatic OATP1B3 transporter expressed in HEK293 cells at 10 uM relative to wild-type HEK293 cells2011Bioorganic & medicinal chemistry letters, May-01, Volume: 21, Issue:9
Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution.
AID309282Inhibition of HMG-CoA reductase in rat liver microsomes2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
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).
AID384740Inhibition of HMGR in rat hepatic microsomes assessed as conversion of [14C]HMG-CoA to [14C]mevalonic acid2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1211552In vitro intrinsic biliary clearance in sandwich cultured Sprague-Dawley rat hepatocytes by LC-MS/MS analysis2012Drug metabolism and disposition: the biological fate of chemicals, Mar, Volume: 40, Issue:3
In vivo biliary clearance should be predicted by intrinsic biliary clearance in sandwich-cultured hepatocytes.
AID1797730HMG-CoA Reductase In Vitro Assay from Article 10.1016/j.bmc.2007.05.031: \\Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.\\2007Bioorganic & medicinal chemistry, Aug-15, Volume: 15, Issue:16
Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.
AID1797731HMG-CoA Reductase In Vitro Assay from Article 10.1016/j.bmcl.2007.08.004: \\Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design.\\2007Bioorganic & medicinal chemistry letters, Oct-15, Volume: 17, Issue:20
Pyrazole inhibitors of HMG-CoA reductase: an attempt to dramatically reduce synthetic complexity through minimal analog re-design.
AID1798004HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay from Article 10.1021/jm070849r: \\Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-meth2008Journal of medicinal chemistry, Jan-10, Volume: 51, Issue:1
Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylcarbamoyl)-2H-pyrazol-3-yl]-3,5-dihydroxyheptanoic acid (PF-3052334) as a candidate for the treatment of hyper
AID1798163HMG-CoA Reductase Enzyme Assay and Inhibition of Cellular Cholesterol Synthesis Assay from Article 10.1021/jm800001n: \\(3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Aci2008Journal of medicinal chemistry, May-08, Volume: 51, Issue:9
(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1h-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid (BMS-644950): a rationally designed orally efficacious 3-hydroxy-3-methylglutaryl coenzyme-a reductase inhibitor with
AID1159550Human Phosphogluconate dehydrogenase (6PGD) Inhibitor Screening2015Nature cell biology, Nov, Volume: 17, Issue:11
6-Phosphogluconate dehydrogenase links oxidative PPP, lipogenesis and tumour growth by inhibiting LKB1-AMPK signalling.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (36)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's17 (47.22)29.6817
2010's18 (50.00)24.3611
2020's1 (2.78)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 137.67

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 Index137.67 (24.57)
Research Supply Index3.64 (2.92)
Research Growth Index4.44 (4.65)
Search Engine Demand Index254.00 (26.88)
Search Engine Supply Index2.01 (0.95)

This Compound (137.67)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews2 (5.41%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other35 (94.59%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]