Page last updated: 2024-11-04

cromolyn

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

Description

Cromolyn sodium (also known as cromoglycate) is a mast cell stabilizer used to prevent asthma attacks. It works by preventing the release of histamine and other inflammatory chemicals from mast cells. Cromolyn is not effective in treating an asthma attack that has already started. It is typically taken as a nasal spray, eye drops, or inhaler. Cromolyn is generally well-tolerated, but side effects can include headache, cough, and nasal congestion. It is available by prescription only.'

cromoglycic acid : A dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer. [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 CID2882
CHEMBL ID428880
CHEBI ID59773
SCHEMBL ID3865
MeSH IDM0330463

Synonyms (113)

Synonym
AC-12785
BIDD:GT0397
KBIO1_000857
DIVK1C_000857
5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4h-chromene-2-carboxylic acid)
acido cromoglicico [inn-spanish]
4h-1-benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-
4h-1-benzopyran-2-carboxylic acid, 5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-
1,3-di(2-carboxy-4-oxochromen-5-yloxy)propan-2-ol
acidum cromoglicicum [inn-latin]
acide cromoglicique [inn-french]
cromoglicic acid [inn:ban]
hsdb 3308
einecs 240-279-8
1,3-bis(2-carboxychromon-5-yloxy)-2-hydroxypropane
SPECTRUM_000852
SPECTRUM5_000791
D07753
cromoglicic acid (inn)
cromo-comod (tn)
chromoglycate
4h-1-benzopyran-2-carboxylic acid, 5, {5'-[(2-hydroxytrimethylene)dioxy]bis(4-oxo-,}
5-(3-((2-carboxy-4-oxo-4h-chromen-5-yl)oxy)-2-hydroxypropoxy)-4-oxo-4h-chromene-2-carboxylic acid
cromoglycate
chromolyn
4h-1-benzopyran-2-carboxylic acid, {5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-,}
5-[3-(2-carboxy-4-oxo-chromen-5-yl)oxy-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylic acid
BSPBIO_002093
BSPBIO_000703
PRESTWICK3_000812
PRESTWICK2_000812
16110-51-3
cromoglicic acid
C06928
cromolyn
sodium chromoglycate
NCGC00159523-01
DB01003
cromoglycic acid
cromoglicate
5-[3-(2-carboxy-4-oxo-4h-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4h-2-chromenecarboxylic acid
OPREA1_077850
NCI60_000229
KBIO2_006468
KBIO2_003900
KBIO3_001313
KBIOGR_000884
KBIO2_001332
KBIOSS_001332
SPECTRUM2_001137
SPBIO_002624
SPECTRUM3_000367
NINDS_000857
PRESTWICK1_000812
SPBIO_001033
SPECTRUM4_000302
PRESTWICK0_000812
IDI1_000857
BPBIO1_000775
NCGC00021142-01
acide cromoglicique
CHEBI:59773 ,
acido cromoglicico
acidum cromoglicicum
acid, cromoglicic
acid, cromoglycic
5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid
y0tk0fs77w ,
unii-y0tk0fs77w
r03bc01
cromo-comod
CHEMBL428880
AKOS015961001
FT-0601561
5,5'-((2-hydroxypropane-1,3-diyl)bis(oxy))bis(4-oxo-4h-chromene-2-carboxylic acid)
5-{3-[(2-carboxy-4-oxo-4h-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4h-chromene-2-carboxylic acid
5,5'-((2-hydroxytrimethylene)dioxy)bis(4-oxo-4h-1-benzopyran-2-carboxylate)
4h-1-benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo-)
cromoglicic acid [who-dd]
cromolyn [vandf]
cromolyn [mi]
cromoglicic acid [inn]
cromolyn [hsdb]
bdbm50440033
gtpl7608
SCHEMBL3865
1,3-bis(2-carboxychromon-5-yloxy)propan-2-ol
1,3-bis-(2-carboxychromon-5-yloxy)propan-2-ol
4h-1-benzopyran-2-carboxylic acid, 5,5'-[(2-hydroxy-1,3-propanediyl)bis(oxy)]bis[4-oxo-
DTXSID4022860 ,
J-009783
SBI-0051323.P003
5,5'-(2-hydroxypropane-1,3-diyl)bis(oxy)bis(4-oxo-4h-chromene-2-carboxylic acid)
cromolyn;cromoglicic acid
Q416427
105878-73-7
ethylenediaminedi-l-(+)-tartrate
BRD-K20920669-304-06-7
5,5'-((2-hydroxypropane-1,3-diyl)bis(oxy))-bis(4-oxo-4h-chromene-2-carboxylic acid)
mfcd00864784
cromoglicic-acid
E78436
A922357
BS-51003
EN300-19766015
CS-0013552
HY-B1619
acidum cromoglicicum (inn-latin)
acido cromoglicico (inn-spanish)
5-(3-(2-carboxy-4-oxo-4h-5-chromenyloxy)-2-hydroxypropoxy)-4-oxo-4h-2-chromenecarboxylic acid
acide cromoglicique (inn-french)
dtxcid602860
4h-1-benzopyran-2-carboxylic acid, 5,5'-((2-hydroxy-1,3-propanediyl)bis(oxy))bis(4-oxo)-

Research Excerpts

Toxicity

ExcerptReferenceRelevance
" An understanding of structure-activity relationships (SARs) of chemicals can make a significant contribution to the identification of potential toxic effects early in the drug development process and aid in avoiding such problems."( Developing structure-activity relationships for the prediction of hepatotoxicity.
Fisk, L; Greene, N; Naven, RT; Note, RR; Patel, ML; Pelletier, DJ, 2010
)
0.36
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (2)

RoleDescription
calcium channel blockerOne of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
anti-asthmatic drugA drug used to treat asthma.
[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
dicarboxylic acidAny carboxylic acid containing two carboxy groups.
chromonesA chromenone that consists of a 1,4-benzopyrone skeleton and its substituted derivatives thereof.
[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 (6)

Potency Measurements

ProteinTaxonomyMeasurementAverage (µ)Min (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, MAJOR APURINIC/APYRIMIDINIC ENDONUCLEASEHomo sapiens (human)Potency0.63100.003245.467312,589.2998AID2517
Chain A, TYROSYL-DNA PHOSPHODIESTERASEHomo sapiens (human)Potency1.77830.004023.8416100.0000AID485290
lamin isoform A-delta10Homo sapiens (human)Potency0.70790.891312.067628.1838AID1487
[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)
Bile salt export pumpRattus norvegicus (Norway rat)IC50 (µMol)1,000.00000.40002.75008.6000AID1209456
Bile salt export pumpHomo sapiens (human)IC50 (µMol)1,000.00000.11007.190310.0000AID1209455; AID1449628
G-protein coupled receptor 35Homo sapiens (human)Ki2.34000.01152.44679.8600AID769725
[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)
G-protein coupled receptor 35Homo sapiens (human)EC50 (µMol)1.94550.00202.50079.8000AID1460079; AID1460080; AID769740; AID769741
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (30)

Processvia Protein(s)Taxonomy
fatty acid metabolic processBile salt export pumpHomo sapiens (human)
bile acid biosynthetic processBile salt export pumpHomo sapiens (human)
xenobiotic metabolic processBile salt export pumpHomo sapiens (human)
xenobiotic transmembrane transportBile salt export pumpHomo sapiens (human)
response to oxidative stressBile salt export pumpHomo sapiens (human)
bile acid metabolic processBile salt export pumpHomo sapiens (human)
response to organic cyclic compoundBile salt export pumpHomo sapiens (human)
bile acid and bile salt transportBile salt export pumpHomo sapiens (human)
canalicular bile acid transportBile salt export pumpHomo sapiens (human)
protein ubiquitinationBile salt export pumpHomo sapiens (human)
regulation of fatty acid beta-oxidationBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transportBile salt export pumpHomo sapiens (human)
bile acid signaling pathwayBile salt export pumpHomo sapiens (human)
cholesterol homeostasisBile salt export pumpHomo sapiens (human)
response to estrogenBile salt export pumpHomo sapiens (human)
response to ethanolBile salt export pumpHomo sapiens (human)
xenobiotic export from cellBile salt export pumpHomo sapiens (human)
lipid homeostasisBile salt export pumpHomo sapiens (human)
phospholipid homeostasisBile salt export pumpHomo sapiens (human)
positive regulation of bile acid secretionBile salt export pumpHomo sapiens (human)
regulation of bile acid metabolic processBile salt export pumpHomo sapiens (human)
transmembrane transportBile salt export pumpHomo sapiens (human)
cytoskeleton organizationG-protein coupled receptor 35Homo sapiens (human)
G protein-coupled receptor signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
positive regulation of cytosolic calcium ion concentrationG-protein coupled receptor 35Homo sapiens (human)
chemokine-mediated signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
negative regulation of voltage-gated calcium channel activityG-protein coupled receptor 35Homo sapiens (human)
negative regulation of neuronal action potentialG-protein coupled receptor 35Homo sapiens (human)
positive regulation of Rho protein signal transductionG-protein coupled receptor 35Homo sapiens (human)
phospholipase C-activating G protein-coupled receptor signaling pathwayG-protein coupled receptor 35Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Processvia Protein(s)Taxonomy
protein bindingBile salt export pumpHomo sapiens (human)
ATP bindingBile salt export pumpHomo sapiens (human)
ABC-type xenobiotic transporter activityBile salt export pumpHomo sapiens (human)
bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
canalicular bile acid transmembrane transporter activityBile salt export pumpHomo sapiens (human)
carbohydrate transmembrane transporter activityBile salt export pumpHomo sapiens (human)
ABC-type bile acid transporter activityBile salt export pumpHomo sapiens (human)
ATP hydrolysis activityBile salt export pumpHomo sapiens (human)
C-X-C chemokine receptor activityG-protein coupled receptor 35Homo sapiens (human)
G protein-coupled receptor activityG-protein coupled receptor 35Homo sapiens (human)
C-X-C chemokine receptor activityG-protein coupled receptor 35Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (12)

Processvia Protein(s)Taxonomy
basolateral plasma membraneBile salt export pumpHomo sapiens (human)
Golgi membraneBile salt export pumpHomo sapiens (human)
endosomeBile salt export pumpHomo sapiens (human)
plasma membraneBile salt export pumpHomo sapiens (human)
cell surfaceBile salt export pumpHomo sapiens (human)
apical plasma membraneBile salt export pumpHomo sapiens (human)
intercellular canaliculusBile salt export pumpHomo sapiens (human)
intracellular canaliculusBile salt export pumpHomo sapiens (human)
recycling endosomeBile salt export pumpHomo sapiens (human)
recycling endosome membraneBile salt export pumpHomo sapiens (human)
extracellular exosomeBile salt export pumpHomo sapiens (human)
membraneBile salt export pumpHomo sapiens (human)
plasma membraneG-protein coupled receptor 35Homo sapiens (human)
plasma membraneG-protein coupled receptor 35Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (72)

Assay IDTitleYearJournalArticle
AID504749qHTS profiling for inhibitors of Plasmodium falciparum proliferation2011Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043
Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1209457Unbound Cmax in human plasma2012Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1
In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID1460079Agonist activity at human GPR35 expressed in CHO-K1 cells by DMR assay2017Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1
Discovery of 2H-Chromen-2-one Derivatives as G Protein-Coupled Receptor-35 Agonists.
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
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).
AID1079934Highest frequency of acute liver toxicity observed during clinical trials, expressed as a percentage. [column '% AIGUE' in source]
AID769720Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35 expressed in CHO cells at 100 uM after 90 mins by beta-arrestin recruitment assay relative to zaprinast2013Journal of medicinal chemistry, Sep-12, Volume: 56, Issue:17
6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.
AID678721Metabolic stability in human liver microsomes assessed as GSH adduct formation at 100 uM after 90 mins by HPLC-MS analysis2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
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]
AID1741314Cytotoxicity against S100P expressing human BXPC-3 cells assessed as LDH release at 10 uM measured after 24 hrs by LDH assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID1079949Proposed mechanism(s) of liver damage. [column 'MEC' in source]
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).
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).
AID769741Agonist activity at human GPR35 by DMR assay2013Journal of medicinal chemistry, Sep-12, Volume: 56, Issue:17
6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.
AID1079937Severe hepatitis, defined as possibly life-threatening liver failure or through clinical observations. Value is number of references indexed. [column 'MASS' in source]
AID1079943Malignant tumor, proven histopathologically. Value is number of references indexed. [column 'T.MAL' in source]
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).
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).
AID1741321Antiinvasive activity in human PANC-1 cells assessed as inhibition of cell invasion at 100 to 300 uM incubated for 48 hrs by transwell invasion assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID467612Fraction unbound in human plasma2009European journal of medicinal chemistry, Nov, Volume: 44, Issue:11
Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data.
AID1774079Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 10 uM incubated for 1 week by absorbance method2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1209456Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake2012Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1
In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID1774075Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli assessed as ANS saturation ratio at 400 uM incubated for 1 hr in presence of 7.5 uM ANS by fluorescence method (Rvb = 56 +/- 2.3%)2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
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]
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).
AID1079948Times to onset, minimal and maximal, observed in the indexed observations. [column 'DELAI' in source]
AID1741313Cytotoxicity against human PANC-1 cells assessed as reduction in cell viability at 10 uM measured after 24 hrs by MTS assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
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).
AID1741316Antiinvasive activity in S100P expressing human BXPC-3 cells assessed as inhibition of cell invasion at 10 uM incubated for 48 hrs by transwell invasion assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID1209455Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake2012Drug metabolism and disposition: the biological fate of chemicals, Jan, Volume: 40, Issue:1
In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.
AID1778707Inhibition of DNP-HAS-stimulated mast cell degranulation in rat RBL-2H3 cells assessed as reduction in beta-hexosaminidase release at 1 mM incubated for 5 mins followed by DNP-HAS stimulation for 1 hr by multiplate reader analysis2021European journal of medicinal chemistry, Oct-05, Volume: 221Hybrids between H
AID1079947Comments (NB not yet translated). [column 'COMMENTAIRES' in source]
AID769740Agonist activity at human GPR35 by Ca+2 release assay2013Journal of medicinal chemistry, Sep-12, Volume: 56, Issue:17
6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.
AID678716Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using diethoxyfluorescein as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
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).
AID1079942Steatosis, proven histopathologically. Value is number of references indexed. [column 'STEAT' in source]
AID678715Inhibition of human CYP2D6 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 4-methylaminoethyl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1741320Antiinvasive activity in S100P expressing human BXPC-3 cells assessed as inhibition of cell invasion at 100 to 300 uM incubated for 48 hrs by transwell invasion assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID1079945Animal toxicity known. [column 'TOXIC' in source]
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).
AID678713Inhibition of human CYP2C9 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-methoxy-4-trifluoromethylcoumarin-3-acetic acid as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1774078Stabilization of TTR V3OM mutant (unknown origin) assessed as acid-mediated protein aggregation inhibition ratio at 4 uM incubated for 1 week by absorbance method2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID588209Literature-mined public compounds from Greene et al multi-species hepatotoxicity modelling dataset2010Chemical research in toxicology, Jul-19, Volume: 23, Issue:7
Developing structure-activity relationships for the prediction of hepatotoxicity.
AID1449628Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-taurocholate transport into vesicles incubated for 5 mins by Topcount based rapid filtration method2012Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 40, Issue:12
Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification.
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]
AID467611Dissociation constant, pKa of the compound2009European journal of medicinal chemistry, Nov, Volume: 44, Issue:11
Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data.
AID1741312Cytotoxicity against S100P expressing human BXPC-3 cells assessed as reduction in cell viability at 10 uM measured after 24 hrs by MTS assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID588210Human drug-induced liver injury (DILI) modelling dataset from Ekins et al2010Drug metabolism and disposition: the biological fate of chemicals, Dec, Volume: 38, Issue:12
A predictive ligand-based Bayesian model for human drug-induced liver injury.
AID678714Inhibition of human CYP2C19 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 3-butyryl-7-methoxycoumarin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1741317Antiinvasive activity in human PANC-1 cells assessed as inhibition of cell invasion at 10 uM incubated for 48 hrs by transwell invasion assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
AID1079944Benign tumor, proven histopathologically. Value is number of references indexed. [column 'T.BEN' in source]
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]
AID1079940Granulomatous liver disease, proven histopathologically. Value is number of references indexed. [column 'GRAN' in source]
AID567091Drug absorption in human assessed as human intestinal absorption rate2011European journal of medicinal chemistry, Jan, Volume: 46, Issue:1
Prediction of drug intestinal absorption by new linear and non-linear QSPR.
AID678717Inhibition of human CYP3A4 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using 7-benzyloxyquinoline as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
AID1774076Inhibition of 8-anilinonaphthalene-l-sulfonic acid binding to TTR V3OM mutant (unknown origin) expressed in Escherichia coli at 400 uM incubated for 1 hr in presence of 75 uM ANS by fluorescence method (Rvb = 91 +/- 0.92%)2021Journal of medicinal chemistry, 10-14, Volume: 64, Issue:19
Repositioning of the Anthelmintic Drugs Bithionol and Triclabendazole as Transthyretin Amyloidogenesis Inhibitors.
AID1079939Cirrhosis, proven histopathologically. Value is number of references indexed. [column 'CIRRH' in source]
AID467613Volume of distribution at steady state in human2009European journal of medicinal chemistry, Nov, Volume: 44, Issue:11
Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data.
AID1079946Presence of at least one case with successful reintroduction. [column 'REINT' in source]
AID1460080Agonist activity at human GPR35 expressed in CHO-K1 cells after 90 mins by beta-arrestin 2 recruitment assay2017Journal of medicinal chemistry, 01-12, Volume: 60, Issue:1
Discovery of 2H-Chromen-2-one Derivatives as G Protein-Coupled Receptor-35 Agonists.
AID678712Inhibition of human CYP1A2 assessed as ratio of IC50 in absence of NADPH to IC50 for presence of NADPH using ethoxyresorufin as substrate after 30 mins2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
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).
AID91481Binding constant against human serum albumin (HSA)2001Journal of medicinal chemistry, Dec-06, Volume: 44, Issue:25
Cheminformatic models to predict binding affinities to human serum albumin.
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).
AID1741315Cytotoxicity against human PANC-1 cells assessed as LDH release at 10 uM measured after 24 hrs by LDH assay2020European journal of medicinal chemistry, Oct-01, Volume: 203Discovery of novel small molecule inhibitors of S100P with in vitro anti-metastatic effects on pancreatic cancer cells.
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]
AID1079932Highest frequency of moderate liver toxicity observed during clinical trials, expressed as a percentage. [column '% BIOL' in source]
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).
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).
AID769725Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis2013Journal of medicinal chemistry, Sep-12, Volume: 56, Issue:17
6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.
AID678722Covalent binding affinity to human liver microsomes assessed per mg of protein at 10 uM after 60 mins presence of NADPH2012Chemical research in toxicology, Oct-15, Volume: 25, Issue:10
Preclinical strategy to reduce clinical hepatotoxicity using in vitro bioactivation data for >200 compounds.
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).
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (15)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's2 (13.33)29.6817
2010's10 (66.67)24.3611
2020's3 (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: 78.86

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 Index78.86 (24.57)
Research Supply Index2.83 (2.92)
Research Growth Index4.84 (4.65)
Search Engine Demand Index141.28 (26.88)
Search Engine Supply Index2.13 (0.95)

This Compound (78.86)

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%
Other16 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]