Compounds > cay10566
Page last updated: 2024-11-12

cay10566

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

Description

CAY10566: an SCD1 inhibitor; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID16732433
CHEMBL ID226646
SCHEMBL ID2632280
MeSH IDM0524351

Synonyms (17)

Synonym
CHEMBL226646 ,
bdbm50371060
2-(6-(4-(2-chloro-5-fluorophenoxy)piperidin-1-yl)pyridazin-3-yl)-5-methyl-1,3,4-oxadiazole
944808-88-2
3-[4-(2-chloro-5-fluorophenoxy)-1-piperidinyl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)-pyridazine
SCHEMBL2632280
cay 10566
HY-15823
cay10566
CS-8077
c18h17clfn5o2
2-[6-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]-5-methyl-1,3,4-oxadiazole
DTXSID80587445
3-[4-(2-chloro-5-fluorophenoxy)piperidin-1-yl]-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridazine
AKOS027282702
AS-74348
mfcd11976899

Research Excerpts

Bioavailability

ExcerptReferenceRelevance
" In this work, we have discovered a series of potent, selective, orally bioavailable SCD1 inhibitors based on a known pyridazine carboxamide template."( Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
Beno, DW; Camp, HS; Cao, N; Cepa, SP; Collins, CA; Freeman, J; Janis, RS; Krauser, JA; Kym, PR; Liu, B; Liu, G; Lynch, JK; Serby, MD; Sham, HL; Smith, HT; Suhar, TS; Surowy, TK; Xin, Z; Yang, R; Zhao, H, 2007)		0.34
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (1)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Stearoyl-CoA desaturaseHomo sapiens (human)IC50 (µMol)0.23000.00100.35661.0700AID1448218; AID1665657; AID1665675
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (4)

Processvia Protein(s)Taxonomy
unsaturated fatty acid biosynthetic processStearoyl-CoA desaturaseHomo sapiens (human)
positive regulation of cold-induced thermogenesisStearoyl-CoA desaturaseHomo sapiens (human)
monounsaturated fatty acid biosynthetic processStearoyl-CoA desaturaseHomo sapiens (human)
response to fatty acidStearoyl-CoA desaturaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (5)

Processvia Protein(s)Taxonomy
stearoyl-CoA 9-desaturase activityStearoyl-CoA desaturaseHomo sapiens (human)
iron ion bindingStearoyl-CoA desaturaseHomo sapiens (human)
protein bindingStearoyl-CoA desaturaseHomo sapiens (human)
oxidoreductase activityStearoyl-CoA desaturaseHomo sapiens (human)
palmitoyl-CoA 9-desaturase activityStearoyl-CoA desaturaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (4)

Processvia Protein(s)Taxonomy
nucleolusStearoyl-CoA desaturaseHomo sapiens (human)
endoplasmic reticulumStearoyl-CoA desaturaseHomo sapiens (human)
endoplasmic reticulum membraneStearoyl-CoA desaturaseHomo sapiens (human)
membraneStearoyl-CoA desaturaseHomo sapiens (human)
endoplasmic reticulum membraneStearoyl-CoA desaturaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID290927AUC (0 to infinity) in Sprague-Dawley rat at 5 mg/kg, po2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463474Inhibition of SCD1 in human HepG2 cells assessed as decrease in 18:1/18:0 desaturase index after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID290928Bioavailability in Sprague-Dawley rat at 5 mg/kg, po2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1665657Inhibition of SCD in human NCI-H2122 cells expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay2020Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17
Tumor-Activated Benzothiazole Inhibitors of Stearoyl-CoA Desaturase.
AID290925Cmax in Sprague-Dawley rat plasma at 5 mg/kg, po2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463475Inhibition of SCD1 in human HepG2 cells assessed as increase in cellular elongase index at 10 uM after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID1463473Inhibition of SCD1 in human HepG2 cells assessed as decrease in 16:1/16:0 desaturase index after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID290926Tmax in Sprague-Dawley rat at 5 mg/kg, po2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463477Inhibition of SCD1 in human HepG2 cells assessed as decrease in 18:1/18:0 desaturase index AT 10 uM after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID1448218Inhibition of SCD1 in human HepG2 cells assessed as ratio of cellular protein product over substrate after 72 hrs2017Journal of medicinal chemistry, 05-25, Volume: 60, Issue:10
Piperazin-1-ylpyridazine Derivatives Are a Novel Class of Human dCTP Pyrophosphatase 1 Inhibitors.
AID290919Half life in Sprague-Dawley rat at 5 mg/kg, iv2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463472Inhibition of SCD1 in human HepG2 cells assessed as increase in cellular elongase index after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID290911Inhibition of human recombinant SCD1 expressed in S6 cells2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290916Inhibition of cytochrome B5 in human liver microsome at 10 uM2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290920Volume of distribution at steady state in Sprague-Dawley rat at 5 mg/kg, iv2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463476Inhibition of SCD1 in human HepG2 cells assessed as decrease in 16:1/16:0 desaturase index at 10 uM after 72 hrs by gas chromatographic analysis2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID290917Inhibition of cytochrome B5 in human liver microsome at 50 uM2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290912Metabolic stability in ob/ob mouse liver microsome2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290918Inhibition of SCD1-mediated conversion of saturated LCFA-CoAs to monounsaturated LCFA-CoAs in HepG2 cells2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290913Metabolic stability in Sprague-Dawley rat liver microsome2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290923Plasma clearance in Sprague-Dawley rat at 5 mg/kg, iv2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290921Volume of distribution in Sprague-Dawley rat at 5 mg/kg, iv2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290914Inhibition of human DOT at 10 uM relative to control2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1463482Inhibition of SCD1 in human HepG2 cells assessed as decrease in cellular lipid accumulation at 1 uM after 48 hrs by Oil Red O staining-based assay2017Bioorganic & medicinal chemistry letters, 09-15, Volume: 27, Issue:18
Tetrahydrobenzothiophene carboxamides: Beyond the kinase domain and into the fatty acid realm.
AID290910Inhibition of SCD1 in ob/ob mouse liver microsome2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID1665675Inhibition of SCD in human NCI-H1155 cells non-expressing CYP4F11 assessed as reduction in cell viability incubated for 96 hrs by cell titer Glo reagent based assay2020Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17
Tumor-Activated Benzothiazole Inhibitors of Stearoyl-CoA Desaturase.
AID290924Half life in Sprague-Dawley rat at 5 mg/kg, po2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290922AUC (0 to infinity) in Sprague-Dawley rat at 5 mg/kg, iv2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
AID290915Inhibition of human 5HT transporter relative to control2007Journal of medicinal chemistry, Jun-28, Volume: 50, Issue:13
Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's1 (14.29)29.6817
2010's3 (42.86)24.3611
2020's3 (42.86)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 26.50

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

MetricThis Compound (vs All)
Research Demand Index26.50 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index5.24 (4.65)
Search Engine Demand Index26.67 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (26.50)

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%
Other7 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
sterculic acid
sterculic acid: structure. sterculic acid : A long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group.		2.2510cyclopropenyl fatty acid;
long-chain fatty acid;
monounsaturated fatty acid
7-ketocholesterol
7-ketocholesterol: inhibits uptake of cholesterol in rabbit aorta. 7-ketocholesterol : A cholestanoid that consists of cholesterol bearing an oxo substituent at position 7.		2.25103beta-hydroxy-Delta(5)-steroid;
3beta-sterol;
7-oxo steroid;
cholestanoid		neuroprotective agent
triptolide
[no description available]		2.1510diterpenoid;
epoxide;
gamma-lactam;
organic heteroheptacyclic compound		antispermatogenic agent;
plant metabolite
oxadiazoles
Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.		3.0640
ConditionIndicatedRelationship StrengthStudiesTrials
Leucocythaemia
[description not available]		02.1510
Leukemia
A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)		02.1510
Genome Instability
[description not available]		02.3110
Hepatocellular Carcinoma
[description not available]		02.3110
Cancer of Liver
[description not available]		02.3110
Carcinoma, Hepatocellular
A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.		02.3110
Liver Neoplasms
Tumors or cancer of the LIVER.		02.3110