4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione profile

ID Source	ID
PubMed CID	653689
CHEMBL ID	1427864
CHEBI ID	121596
SCHEMBL ID	23361633

Synonym
OPREA1_006483
smr000009448
TIMTEC1_007132
CBDIVE_011283
4-(3-methyl-isoxazol-5-yl)-5-phenyl-cyclohexane-1,3-dione
MLS000029515
OPREA1_776005
CHEBI:121596
HMS1554E04
AKOS000605289
4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohexane-1,3-dione
HMS2279K15
AKOS024302585
CHEMBL1427864
4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione
Q27210156
sr-01000312089
SR-01000312089-1
4-(3-methyl-5-isoxazolyl)-5-phenyl-1,3-cyclohexanedione
STL525467
BRD-A27997471-001-10-2
SCHEMBL23361633

Class	Description
beta-diketone	A diketone in which the two keto groups are separated by a single carbon atom.
[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 (12)

Potency Measurements

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	22.3872	0.1778	14.3909	39.8107	AID2147
Chain A, ATP-DEPENDENT DNA HELICASE Q1	Homo sapiens (human)	Potency	40.6765	0.1259	19.1169	125.8920	AID2549; AID504841
Microtubule-associated protein tau	Homo sapiens (human)	Potency	17.7828	0.1800	13.5574	39.8107	AID1460
aldehyde dehydrogenase 1 family, member A1	Homo sapiens (human)	Potency	10.0000	0.0112	12.4002	100.0000	AID1030
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	31.6228	0.0013	18.0743	39.8107	AID926; AID938
nonstructural protein 1	Influenza A virus (A/WSN/1933(H1N1))	Potency	5.0119	0.2818	9.7212	35.4813	AID2326
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	39.8107	0.0355	20.9770	89.1251	AID504332
polyunsaturated fatty acid lipoxygenase ALOX12	Homo sapiens (human)	Potency	7.9433	1.0000	12.2326	31.6228	AID1452
mitogen-activated protein kinase 1	Homo sapiens (human)	Potency	7.9433	0.0398	16.7842	39.8107	AID995
serine/threonine-protein kinase PLK1	Homo sapiens (human)	Potency	21.1923	0.1683	16.4040	67.0158	AID720504
DNA polymerase eta isoform 1	Homo sapiens (human)	Potency	15.8489	0.1000	28.9256	213.3130	AID588591
Inositol monophosphatase 1	Rattus norvegicus (Norway rat)	Potency	31.6228	1.0000	10.4756	28.1838	AID901
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (15)

Assay ID	Title	Year	Journal	Article
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588501	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID504812	Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588499	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Current protocols in cytometry, Oct, Volume: Chapter 13	Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2006	Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5	Microsphere-based protease assays and screening application for lethal factor and factor Xa.
AID588497	High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set	2010	Assay and drug development technologies, Feb, Volume: 8, Issue:1	High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID504810	Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign	2010	Endocrinology, Jul, Volume: 151, Issue:7	A small molecule inverse agonist for the human thyroid-stimulating hormone receptor.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID588519	A screen for compounds that inhibit viral RNA polymerase binding and polymerization activities	2011	Antiviral research, Sep, Volume: 91, Issue:3	High-throughput screening identification of poliovirus RNA-dependent RNA polymerase inhibitors.
AID540299	A screen for compounds that inhibit the MenB enzyme of Mycobacterium tuberculosis	2010	Bioorganic & 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.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (14.29)	29.6817
2010's	5 (71.43)	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]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	7 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Condition	Relationship Strength	Studies
Innate Inflammatory Response [description not available]	2.05	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.05	1
Encephalitis, Polio [description not available]	2.06	1
Poliomyelitis An acute infectious disease of humans, particularly children, caused by any of three serotypes of human poliovirus (POLIOVIRUS). Usually the infection is limited to the gastrointestinal tract and nasopharynx, and is often asymptomatic. The central nervous system, primarily the spinal cord, may be affected, leading to rapidly progressive paralysis, coarse FASCICULATION and hyporeflexia. Motor neurons are primarily affected. Encephalitis may also occur. The virus replicates in the nervous system, and may cause significant neuronal loss, most notably in the spinal cord. A rare related condition, nonpoliovirus poliomyelitis, may result from infections with nonpoliovirus enteroviruses. (From Adams et al., Principles of Neurology, 6th ed, pp764-5)	2.06	1

4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione

Cross-References

Synonyms (22)

Drug Classes (1)

Protein Targets (12)

Potency Measurements

Bioassays (15)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione

Cross-References

Synonyms (22)

Drug Classes (1)

Protein Targets (12)

Potency Measurements

Bioassays (15)

Research

Studies (7)

Market Indicators

Research Demand Index: 12.20

Study Types

Related Conditions (4)