Compounds > 6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile

Page last updated: 2024-11-09

6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile

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

Cross-References

ID Source	ID
PubMed CID	650942
CHEMBL ID	1612744
CHEBI ID	114852

Synonyms (16)

Synonym
smr000012167
MLS000035073 ,
6-hydroxy-1-(3-hydroxy-propyl)-4-methyl-2-oxo-5-piperidin-1-ylmethyl-1,2-dihydro-pyridine-3-carbonitrile
CHEBI:114852
AKOS000624819
MLS002539476
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
HMS2167B08
HMS3314M09
6-hydroxy-1-(3-hydroxypropyl)-2-keto-4-methyl-5-(piperidinomethyl)nicotinonitrile
4-methyl-6-oxidanyl-2-oxidanylidene-1-(3-oxidanylpropyl)-5-(piperidin-1-ylmethyl)pyridine-3-carbonitrile
bdbm52072
6-hydroxy-1-(3-hydroxypropyl)-4-methyl-2-oxo-5-(1-piperidinylmethyl)-3-pyridinecarbonitrile
cid_650942
CHEMBL1612744
Q27196506

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

Drug Classes (2)

Class	Description
nitrile	A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it.
pyridines	Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives.
[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, Beta-lactamase	Escherichia coli K-12	Potency	12.5893	0.0447	17.8581	100.0000	AID485294
Chain A, Putative fructose-1,6-bisphosphate aldolase	Giardia intestinalis	Potency	7.0627	0.1409	11.1940	39.8107	AID2451
Chain A, 2-oxoglutarate Oxygenase	Homo sapiens (human)	Potency	25.1189	0.1778	14.3909	39.8107	AID2147
Microtubule-associated protein tau	Homo sapiens (human)	Potency	20.0850	0.1800	13.5574	39.8107	AID1460; AID1468
thioredoxin glutathione reductase	Schistosoma mansoni	Potency	28.1838	0.1000	22.9075	100.0000	AID485364
thyroid stimulating hormone receptor	Homo sapiens (human)	Potency	6.3096	0.0013	18.0743	39.8107	AID926; AID938
euchromatic histone-lysine N-methyltransferase 2	Homo sapiens (human)	Potency	44.6684	0.0355	20.9770	89.1251	AID504332
transcriptional regulator ERG isoform 3	Homo sapiens (human)	Potency	39.8107	0.7943	21.2757	50.1187	AID624246
peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Homo sapiens (human)	Potency	75.6863	0.4256	12.0591	28.1838	AID504891
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Activation Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
POsterior Segregation	Caenorhabditis elegans	EC50 (µMol)	300.0000	2.2010	47.1808	186.6810	AID1964
Sodium-dependent noradrenaline transporter	Homo sapiens (human)	EC50 (µMol)	300.0000	0.0820	31.0243	168.9080	AID1960
Zinc finger protein mex-5	Caenorhabditis elegans	EC50 (µMol)	300.0000	0.0820	33.5679	168.9080	AID1960
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (11)

Process	via Protein(s)	Taxonomy
monoamine transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
chemical synaptic transmission	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
response to xenobiotic stimulus	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
response to pain	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine uptake	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neuron cellular homeostasis	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
amino acid transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
dopamine uptake involved in synaptic transmission	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
sodium ion transmembrane transport	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (10)

Process	via Protein(s)	Taxonomy
actin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter transmembrane transporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neurotransmitter:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
dopamine:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
norepinephrine:sodium symporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
protein binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
monoamine transmembrane transporter activity	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
alpha-tubulin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
metal ion binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
beta-tubulin binding	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (6)

Process	via Protein(s)	Taxonomy
plasma membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
cell surface	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
neuronal cell body membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
presynaptic membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
plasma membrane	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
axon	Sodium-dependent noradrenaline transporter	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (18)

Assay ID	Title	Year	Journal	Article
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.
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.
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.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
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.
AID651635	Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression
AID1645835	Toxicity liver stage against HepG2, at 10uM	2020	ACS infectious diseases, 04-10, Volume: 6, Issue:4	Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials.
AID1645833	Screen against P. berghei liver stage (PbLuc), transformed with Luciferase, at 2uM	2020	ACS infectious diseases, 04-10, Volume: 6, Issue:4	Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials.
AID1645837	Screen against P. falciparum Stg V gametocytes, at 2uM	2020	ACS infectious diseases, 04-10, Volume: 6, Issue:4	Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials.
AID1645836	Screen against P. falciparum Asexual Blood Stage (ABS), at 5uM	2020	ACS infectious diseases, 04-10, Volume: 6, Issue:4	Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials.
AID1645834	Screen against P. berghei liver stage (PbLuc), transformed with Luciferase, at 10uM	2020	ACS infectious diseases, 04-10, Volume: 6, Issue:4	Probing the Open Global Health Chemical Diversity Library for Multistage-Active Starting Points for Next-Generation Antimalarials.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (6)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	1 (16.67)	29.6817
2010's	3 (50.00)	24.3611
2020's	2 (33.33)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.35

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	12.35 (24.57)
Research Supply Index	1.95 (2.92)
Research Growth Index	4.30 (4.65)
Search Engine Demand Index	0.00 (26.88)
Search Engine Supply Index	0.00 (0.95)

This Compound (12.35)

All Compounds (24.57)

Study Types

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	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
hesperetin [no description available]	2.25	1	0	ether; flavonoids
vasicinone vasicinone: isolated from Adhatoda vasica; structure given in first source	2.25	1	0
afzelechin afzelechin: from Hovenia dulcis; structure in first source. afzelechin : A tetrahydroxyflavan that is (2S)-flavan substituted by hydroxy groups at positions 3, 5, 7 and 4' respectively.	2.25	1	0	catechin; tetrahydroxyflavan	EC 3.2.1.20 (alpha-glucosidase) inhibitor; plant metabolite
5,6,7-trimethoxy-1-methyl-2-indolecarboxylic acid [no description available]	2.25	1	0	indolyl carboxylic acid
N-(3-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide [no description available]	2.25	1	0	anilide
2-[[2-[(2-methoxy-2-oxoethyl)thio]-4-oxo-3-quinazolinyl]oxy]acetic acid methyl ester [no description available]	2.25	1	0	quinazolines
(4-methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone [no description available]	2.25	1	0	aromatic ketone
2-(2,6-dichloroanilino)-3-pyridinesulfonamide [no description available]	2.25	1	0	pyridines; sulfonamide
4-amino-7,8,9,10-tetrahydro-6H-pyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile [no description available]	2.25	1	0	organic heterobicyclic compound; organonitrogen heterocyclic compound
5-chloro-N-(1,3-dioxo-5-isoindolyl)-2-thiophenecarboxamide [no description available]	2.25	1	0	phthalimides
N-(4-methoxyphenyl)-5-oxo-6,7-dihydro-[1,2,4]triazolo[3,4-b][1,3]thiazine-7-carboxamide [no description available]	2.25	1	0	anilide
3-methylkaempferol 3-methylkaempferol: structure in first source. 3-methoxyapigenin : A trihydroxyflavone that is apigenin substituted by a methoxy group at position 3.	2.25	1	0	monomethoxyflavone; trihydroxyflavone	plant metabolite
5,5-diethyl-2-(2-hydroxyethylamino)-1,6-dihydrobenzo[h]quinazolin-4-one [no description available]	2.25	1	0	quinazolines

Condition	Indicated	Relationship Strength	Studies	Trials
Innate Inflammatory Response [description not available]	0	2.05	1	0
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.	0	2.05	1	0