Page last updated: 2024-12-10

nk 104

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

Description

pitavastatin calcium : The calcium salt of pitavastatin. Used for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. [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 CID5282451
CHEMBL ID1237061
CHEBI ID71258
CHEBI ID94569
SCHEMBL ID22720
MeSH IDM0281810

Synonyms (57)

Synonym
nk 104 (acid)
iyd54xeg3w ,
flovas
ccris 8652
unii-iyd54xeg3w
(+)-monocalciumbis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-hepten
pitavastatin calcium
redevant
alipza
livazo
itavastatin calcium
nks-104
p-872441
6-heptenoic acid, 7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl)-3,5-dihydroxy-, calcium salt (2:1), (s-(r*,s*-(e)))-
pitavastatin hemicalcium
bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate), monocalcium salt
D01862
pitavastatin calcium (jan)
livalo (tn)
nk 104
111GE002
calcium (e,3r,5s)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
chebi:71258 ,
pitavastatin calcium salt
CHEMBL1237061
dtxsid4046448 ,
tox21_112195
dtxcid40819916
cas-147526-32-7
pitavastatin calcium [who-dd]
pitavastatin calcium [mart.]
pitavastatin calcium salt [mi]
pitavastatin calcium [orange book]
pitavastatin calcium [jan]
AM84441
AKOS015900407
bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-3-quinolyl)-3,5-dihydroxy-6-heptenoate) monocalcium salt
calcium bis{(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate}
SCHEMBL22720
KS-1220
RHGYHLPFVJEAOC-FFNUKLMVSA-L
calcium (3r,5s,e)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
tox21_303926
NCGC00356953-01
Q-201590
(3r,5s,6e)-7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-6-heptenoic acid hemicalcium salt
calcium;(e,3r,5s)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate
mfcd01937979
CHEBI:94569
pitavastatin hemicalcium;nk-104
Q27139472
(+)-monocalciumbis[(3r,5s,6e)-7-[2-cyclopropyl-4(4-fluorophenyl)-3-quinolyl]3,5-dihydroxy-6-hepteno ate]
6-heptenoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-, calcium salt (2:1), (3r,5s,6e)-
calcium (3r,5s,e)-7-(2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
pitavastatin calcium (mart.)
calcium bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate)
monocalcium bis((3r,5s,6e)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate)

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019
)
0.51
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

RoleDescription
antioxidantA substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
[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 (2)

ClassDescription
calcium salt
statin (synthetic)A statin which does not occur naturally and which is not obtained by chemical transformation of a naturally occurring statin.
[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 (17)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
RAR-related orphan receptor gammaMus musculus (house mouse)Potency0.48450.006038.004119,952.5996AID1159521; AID1159523
TDP1 proteinHomo sapiens (human)Potency2.27230.000811.382244.6684AID686978; AID686979
AR proteinHomo sapiens (human)Potency2.38070.000221.22318,912.5098AID1259243; AID1259247; AID743035; AID743042; AID743054; AID743063
caspase 7, apoptosis-related cysteine proteaseHomo sapiens (human)Potency10.31830.013326.981070.7614AID1346978
cytochrome P450 family 3 subfamily A polypeptide 4Homo sapiens (human)Potency14.12540.01237.983543.2770AID1346984
glucocorticoid receptor [Homo sapiens]Homo sapiens (human)Potency6.59210.000214.376460.0339AID720691; AID720692
estrogen-related nuclear receptor alphaHomo sapiens (human)Potency1.10140.001530.607315,848.9004AID1224841; AID1224848; AID1224849; AID1259401; AID1259403
estrogen nuclear receptor alphaHomo sapiens (human)Potency7.99490.000229.305416,493.5996AID743069; AID743075; AID743078; AID743080; AID743091
caspase-3Homo sapiens (human)Potency10.31830.013326.981070.7614AID1346978
cytochrome P450, family 19, subfamily A, polypeptide 1, isoform CRA_aHomo sapiens (human)Potency0.09440.001723.839378.1014AID743083
nuclear receptor subfamily 1, group I, member 2Rattus norvegicus (Norway rat)Potency14.12540.10009.191631.6228AID1346983
Caspase-7Cricetulus griseus (Chinese hamster)Potency5.80240.006723.496068.5896AID1346980
caspase-3Cricetulus griseus (Chinese hamster)Potency5.80240.006723.496068.5896AID1346980
thyroid hormone receptor beta isoform 2Rattus norvegicus (Norway rat)Potency19.96820.000323.4451159.6830AID743065; AID743067
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
3-hydroxy-3-methylglutaryl-coenzyme A reductaseHomo sapiens (human)IC50 (µMol)8.90000.00000.79498.9000AID453406
3-hydroxy-3-methylglutaryl-coenzyme A reductase Rattus norvegicus (Norway rat)IC50 (µMol)10.55000.00090.20949.0300AID309702
[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)
Retinoic acid receptor RXR-alphaHomo sapiens (human)Kd13.30000.00040.58388.8000AID1431666
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (26)

Processvia Protein(s)Taxonomy
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)
positive regulation of cholesterol effluxRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIRetinoic acid receptor RXR-alphaHomo sapiens (human)
negative regulation of transcription by RNA polymerase IIRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of thyroid hormone mediated signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
hormone-mediated signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of bone mineralizationRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of transporter activityRetinoic acid receptor RXR-alphaHomo sapiens (human)
response to retinoic acidRetinoic acid receptor RXR-alphaHomo sapiens (human)
peroxisome proliferator activated receptor signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
mRNA transcription by RNA polymerase IIRetinoic acid receptor RXR-alphaHomo sapiens (human)
steroid hormone mediated signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of DNA-templated transcriptionRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of transcription by RNA polymerase IIRetinoic acid receptor RXR-alphaHomo sapiens (human)
retinoic acid receptor signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
positive regulation of vitamin D receptor signaling pathwayRetinoic acid receptor RXR-alphaHomo sapiens (human)
cell differentiationRetinoic acid receptor RXR-alphaHomo sapiens (human)
anatomical structure developmentRetinoic acid receptor RXR-alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (26)

Processvia Protein(s)Taxonomy
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)
vitamin D response element bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
transcription cis-regulatory region bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
RNA polymerase II transcription regulatory region sequence-specific DNA bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specificRetinoic acid receptor RXR-alphaHomo sapiens (human)
transcription coregulator bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
retinoic acid bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
double-stranded DNA bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
DNA-binding transcription factor activityRetinoic acid receptor RXR-alphaHomo sapiens (human)
nuclear steroid receptor activityRetinoic acid receptor RXR-alphaHomo sapiens (human)
nuclear receptor activityRetinoic acid receptor RXR-alphaHomo sapiens (human)
protein bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
zinc ion bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
enzyme bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
peptide bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
identical protein bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
nuclear vitamin D receptor bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
sequence-specific DNA bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
retinoic acid-responsive element bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
DNA binding domain bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
LBD domain bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
sequence-specific double-stranded DNA bindingRetinoic acid receptor RXR-alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (11)

Processvia Protein(s)Taxonomy
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)
nucleusRetinoic acid receptor RXR-alphaHomo sapiens (human)
nucleoplasmRetinoic acid receptor RXR-alphaHomo sapiens (human)
transcription regulator complexRetinoic acid receptor RXR-alphaHomo sapiens (human)
mitochondrionRetinoic acid receptor RXR-alphaHomo sapiens (human)
cytosolRetinoic acid receptor RXR-alphaHomo sapiens (human)
RNA polymerase II transcription regulator complexRetinoic acid receptor RXR-alphaHomo sapiens (human)
chromatinRetinoic acid receptor RXR-alphaHomo sapiens (human)
receptor complexRetinoic acid receptor RXR-alphaHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (11)

Assay IDTitleYearJournalArticle
AID1346986P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1296008Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening2020SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1
Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen2019Molecular pharmacology, 11, Volume: 96, Issue:5
A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1431671Activity at Nur77 LBD (unknown origin) expressed in human MCF-7 cells at 10 uM after 24 hrs by luciferase reporter gene assay2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
AID1431666Binding affinity to RXRalpha-LBD (unknown origin) measured up to 120 sec by surface plasma resonance method2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
AID1431672Antagonist activity at RARgamma (unknown origin) expressed in human MCF-7 cells assessed as inhibition of AHPN induced receptor transactivation at 10 uM after 24 hrs by luciferase reporter gene assay2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
AID1431675Agonist activity at RARgamma (unknown origin) expressed in human MCF-7 cells assessed as increase in AHPN induced receptor transactivation at 10 uM after 24 hrs by luciferase reporter gene assay2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
AID1431667Antagonist activity at Myc-tagged RXRalpha (unknown origin) expressed in human MCF-7 cells assessed as inhibition of 9-cis-RA induced receptor transactivation at 10 uM after 24 hrs by luciferase reporter gene assay2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
AID309702Inhibition of Holtzman-Sprague-Dawley rat liver HMG CoA reductase after 30 mins2007Bioorganic & medicinal chemistry, Dec-15, Volume: 15, Issue:24
Synthesis and HMG CoA reductase inhibition of 4-thiophenyl quinolines as potential hypocholesterolemic agents.
AID453406Inhibition of HMG CoA reductase by spectrophotometry2009Bioorganic & medicinal chemistry, Dec-01, Volume: 17, Issue:23
Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones.
AID1431669Antagonist activity at Myc-tagged RXRalpha (unknown origin) expressed in human MCF-7 cells assessed as inhibition of 9-cis-RA induced receptor transactivation at 1 uM after 24 hrs by luciferase reporter gene assay2017Bioorganic & medicinal chemistry letters, 02-15, Volume: 27, Issue:4
Virtual screening and experimental validation identify novel modulators of nuclear receptor RXRα from Drugbank database.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (5)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (40.00)29.6817
2010's2 (40.00)24.3611
2020's1 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 42.28

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

MetricThis Compound (vs All)
Research Demand Index42.28 (24.57)
Research Supply Index1.79 (2.92)
Research Growth Index4.63 (4.65)
Search Engine Demand Index60.59 (26.88)
Search Engine Supply Index2.15 (0.95)

This Compound (42.28)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other5 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]