calystegine a3

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

Description

calystegine A3: also inhibits beta-xylosidase; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID Source	ID
PubMed CID	183073
CHEMBL ID	3233942
SCHEMBL ID	2441256
MeSH ID	M0286617

Synonyms (12)

Synonym
calystegine a3
131580-36-4
(+)-calystegine a3
8-azabicyclo(3.2.1)octane-1,2,3-triol, (1r,2s,3r,5r)-
CHEMBL3233942 ,
SCHEMBL2441256
bdbm50002856
8-azabicyclo[3.2.1]octane-1,2,3-triol
8-azabicyclo[3.2.1]octane-1,2,3-triol, (1r,2s,3r,5r)-
(1r,2s,3r,5r)-8-azabicyclo[3.2.1]octane-1,2,3-triol
FS-6674
AKOS040736012

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Lysosomal acid glucosylceramidase	Homo sapiens (human)	IC50 (µMol)	16.0000	0.0300	2.3589	8.8000	AID1125774
Lysosomal acid glucosylceramidase	Homo sapiens (human)	Ki	6.3000	0.0210	1.5288	6.3000	AID1125775
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (52)

Process	via Protein(s)	Taxonomy
mitochondrion organization	Lysosomal acid glucosylceramidase	Homo sapiens (human)
neuron projection development	Lysosomal acid glucosylceramidase	Homo sapiens (human)
glucosylceramide catabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
autophagy	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lysosome organization	Lysosomal acid glucosylceramidase	Homo sapiens (human)
cholesterol metabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
determination of adult lifespan	Lysosomal acid glucosylceramidase	Homo sapiens (human)
cellular response to starvation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
response to pH	Lysosomal acid glucosylceramidase	Homo sapiens (human)
microglia differentiation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
regulation of macroautophagy	Lysosomal acid glucosylceramidase	Homo sapiens (human)
antigen processing and presentation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lipid storage	Lysosomal acid glucosylceramidase	Homo sapiens (human)
cerebellar Purkinje cell layer formation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
pyramidal neuron differentiation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
respiratory electron transport chain	Lysosomal acid glucosylceramidase	Homo sapiens (human)
termination of signal transduction	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lipid glycosylation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
negative regulation of protein-containing complex assembly	Lysosomal acid glucosylceramidase	Homo sapiens (human)
regulation of TOR signaling	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of proteasomal ubiquitin-dependent protein catabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
negative regulation of interleukin-6 production	Lysosomal acid glucosylceramidase	Homo sapiens (human)
T cell differentiation in thymus	Lysosomal acid glucosylceramidase	Homo sapiens (human)
response to testosterone	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of protein dephosphorylation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
proteasome-mediated ubiquitin-dependent protein catabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of protein-containing complex disassembly	Lysosomal acid glucosylceramidase	Homo sapiens (human)
negative regulation of MAP kinase activity	Lysosomal acid glucosylceramidase	Homo sapiens (human)
negative regulation of neuron apoptotic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
response to estrogen	Lysosomal acid glucosylceramidase	Homo sapiens (human)
sphingosine biosynthetic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
ceramide biosynthetic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
cell maturation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
brain morphogenesis	Lysosomal acid glucosylceramidase	Homo sapiens (human)
homeostasis of number of cells	Lysosomal acid glucosylceramidase	Homo sapiens (human)
negative regulation of inflammatory response	Lysosomal acid glucosylceramidase	Homo sapiens (human)
neuromuscular process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
neuron apoptotic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
establishment of skin barrier	Lysosomal acid glucosylceramidase	Homo sapiens (human)
microglial cell proliferation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
motor behavior	Lysosomal acid glucosylceramidase	Homo sapiens (human)
cellular response to tumor necrosis factor	Lysosomal acid glucosylceramidase	Homo sapiens (human)
hematopoietic stem cell proliferation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
response to dexamethasone	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lymphocyte migration	Lysosomal acid glucosylceramidase	Homo sapiens (human)
response to thyroid hormone	Lysosomal acid glucosylceramidase	Homo sapiens (human)
beta-glucoside catabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of protein lipidation	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of neuronal action potential	Lysosomal acid glucosylceramidase	Homo sapiens (human)
positive regulation of autophagy of mitochondrion in response to mitochondrial depolarization	Lysosomal acid glucosylceramidase	Homo sapiens (human)
autophagosome organization	Lysosomal acid glucosylceramidase	Homo sapiens (human)
regulation of lysosomal protein catabolic process	Lysosomal acid glucosylceramidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (7)

Process	via Protein(s)	Taxonomy
galactosylceramidase activity	Lysosomal acid glucosylceramidase	Homo sapiens (human)
glucosylceramidase activity	Lysosomal acid glucosylceramidase	Homo sapiens (human)
signaling receptor binding	Lysosomal acid glucosylceramidase	Homo sapiens (human)
scavenger receptor binding	Lysosomal acid glucosylceramidase	Homo sapiens (human)
protein binding	Lysosomal acid glucosylceramidase	Homo sapiens (human)
glucosyltransferase activity	Lysosomal acid glucosylceramidase	Homo sapiens (human)
steryl-beta-glucosidase activity	Lysosomal acid glucosylceramidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (7)

Process	via Protein(s)	Taxonomy
lysosome	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lysosomal membrane	Lysosomal acid glucosylceramidase	Homo sapiens (human)
endoplasmic reticulum	Lysosomal acid glucosylceramidase	Homo sapiens (human)
Golgi apparatus	Lysosomal acid glucosylceramidase	Homo sapiens (human)
trans-Golgi network	Lysosomal acid glucosylceramidase	Homo sapiens (human)
lysosomal lumen	Lysosomal acid glucosylceramidase	Homo sapiens (human)
extracellular exosome	Lysosomal acid glucosylceramidase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (4)

Assay ID	Title	Year	Journal	Article
AID1125773	Stabilization of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate assessed as remaining enzyme activity at 50 uM at 53 degC after 60 mins relative to control	2014	Bioorganic & medicinal chemistry, Apr-15, Volume: 22, Issue:8	Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.
AID1125775	Competitive inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins before substrate addition measured after 30 mins by double-reciprocal plot analysis	2014	Bioorganic & medicinal chemistry, Apr-15, Volume: 22, Issue:8	Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.
AID1125774	Inhibition of human lysosomal beta-glucocerebrosidase using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate preincubated for 45 mins before substrate addition measured after 30 mins by fluorescence spectrophotometer analysis	2014	Bioorganic & medicinal chemistry, Apr-15, Volume: 22, Issue:8	Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.
AID1125777	Increase of intracellular activity of beta-glucocerebrosidase in human N370S cells using 4-methylumbelliferyl-beta-D-glucopyranoside as substrate at 250 uM after 4 days relative to control	2014	Bioorganic & medicinal chemistry, Apr-15, Volume: 22, Issue:8	Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	1 (14.29)	18.2507
2000's	2 (28.57)	29.6817
2010's	3 (42.86)	24.3611
2020's	1 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.66

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	12.66 (24.57)
Research Supply Index	2.20 (2.92)
Research Growth Index	4.86 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.66)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	1 (14.29%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (85.71%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes
deoxyglucose Deoxyglucose: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.. deoxyglucose : A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen.	7.06	1
1,2,3,4-tetrahydroxy-nor-tropane calystegine B(2): RN given for (2-endo,3-exo,4-endo)-isomer; structure in first source	3.13	5
solanine Solanine: A mixture of alpha-chaconine and alpha-solanine, found in SOLANACEAE plants.. solanine : A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol].	2.44	2
alpha-chaconine alpha-chaconine: glycoside of solanidine; structure in 5th source	2.44	2	glycoalkaloid; steroid saponin
isofagomine [no description available]	2.1	1	piperidines
alpha-solanine [no description available]	2.08	1

Condition	Relationship Strength	Studies	Trials
Acid beta-Glucosidase Deficiency [description not available]	2.1	1	0
Gaucher Disease An autosomal recessive disorder caused by a deficiency of acid beta-glucosidase (GLUCOSYLCERAMIDASE) leading to intralysosomal accumulation of glycosylceramide mainly in cells of the MONONUCLEAR PHAGOCYTE SYSTEM. The characteristic Gaucher cells, glycosphingolipid-filled HISTIOCYTES, displace normal cells in BONE MARROW and visceral organs causing skeletal deterioration, hepatosplenomegaly, and organ dysfunction. There are several subtypes based on the presence and severity of neurological involvement.	2.1	1	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	3.64	1	1

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