sazetidine-a profile

sazetidine-A: a ligand that desensitizes alpha4beta2 nicotinic acetylcholine receptors without activating them; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	11983356
CHEMBL ID	2024096
SCHEMBL ID	2495999
MeSH ID	M0503912

Synonym
sazetidine-a
bdbm50382474
5-hexyn-1-ol, 6-[5-[(2s)-2-azetidinylmethoxy]-3-pyridinyl]-
chembl2024096 ,
sazetidine a
820231-95-6
SCHEMBL2495999
(s)-6-(5-(azetidin-2-ylmethoxy)pyridin-3-yl)hex-5-yn-1-ol
6-[5-[(2s)-2-azetidinylmethoxy]-3-pyridinyl]-5-hexyn-1-ol
NCGC00378710-01
DTXSID401010179
6-[5-[[(2s)-azetidin-2-yl]methoxy]pyridin-3-yl]hex-5-yn-1-ol
lh23s35nsm ,
6-(5-{[(2s)-azetidin-2-yl]methoxy}pyridin-3-yl)hex-5-yn-1-ol

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Excerpt	Relevance	Reference
" In the present studies, varenicline, sazetidine-A and nicotine exhibited inverted U-shaped dose-response functions under fixed-ratio (peak responding at 30, 60 and 10-30 μg/kg/inf, respectively) or progressive-ratio (peak responding at 30-60, 30-100 and 30 μg/kg/inf, respectively) schedules in rats trained to self-administer nicotine."	( The high-affinity nAChR partial agonists varenicline and sazetidine-A exhibit reinforcing properties in rats. Caldarone, B; Ghavami, A; Hackett, A; Hanania, T; Lowe, D; Min, W; Paterson, NE, 2010)	0.88

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Neuronal acetylcholine receptor subunit alpha-3	Rattus norvegicus (Norway rat)	IC50 (µMol)	10.0000	0.0030	0.7770	6.0000	AID1053292; AID729072
Neuronal acetylcholine receptor subunit alpha-3	Rattus norvegicus (Norway rat)	Ki	2.4668	0.0000	0.3522	10.0000	AID1053304; AID1053305; AID1171288; AID658720; AID729085; AID729086
Neuronal acetylcholine receptor subunit alpha-4	Rattus norvegicus (Norway rat)	Ki	0.0176	0.0000	0.1234	5.5000	AID1053302; AID1171289; AID658721; AID658722; AID729083; AID729084
Neuronal acetylcholine receptor subunit alpha-2	Rattus norvegicus (Norway rat)	Ki	0.1050	0.0000	0.0423	0.4500	AID1053306; AID1053307; AID729087; AID729088
Neuronal acetylcholine receptor subunit beta-2	Rattus norvegicus (Norway rat)	Ki	0.0003	0.0000	0.1082	5.5000	AID1053305; AID1053307; AID1171289; AID658721; AID658722; AID729084; AID729086; AID729088
Neuronal acetylcholine receptor subunit beta-4	Rattus norvegicus (Norway rat)	IC50 (µMol)	10.0000	0.0030	0.8869	6.0000	AID1053292; AID729072
Neuronal acetylcholine receptor subunit beta-4	Rattus norvegicus (Norway rat)	Ki	1.9155	0.0000	0.2963	10.0000	AID1053302; AID1053304; AID1053306; AID1171288; AID658720; AID729083; AID729085; AID729087
Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)	IC50 (µMol)	0.0079	0.0011	0.5390	10.0000	AID1053295; AID1171296; AID658727; AID729076
Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)	Ki	0.0001	0.0000	0.1117	3.5400	AID1053303
Delta-type opioid receptor	Mus musculus (house mouse)	Ki	1.9000	0.0000	0.5393	9.4000	AID729085
Delta-type opioid receptor	Rattus norvegicus (Norway rat)	Ki	0.2100	0.0000	0.6068	9.2330	AID729087
Mu-type opioid receptor	Rattus norvegicus (Norway rat)	Ki	1.9000	0.0000	0.3845	8.6000	AID729085
Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)	IC50 (µMol)	0.0079	0.0011	0.4911	10.0000	AID1053295; AID1171296; AID658727; AID729076
Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)	Ki	0.0001	0.0000	0.1157	3.5400	AID1053303
Mu-type opioid receptor	Cavia porcellus (domestic guinea pig)	Ki	0.9500	0.0000	0.2786	9.0000	AID729085; AID729088
Neuronal acetylcholine receptor subunit alpha-7	Rattus norvegicus (Norway rat)	Ki	0.6700	0.0000	0.7307	8.0000	AID1053301; AID729082
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Neuronal acetylcholine receptor subunit alpha-3	Rattus norvegicus (Norway rat)	EC50 (µMol)	30.0000	0.0000	1.0116	10.0000	AID729075
Neuronal acetylcholine receptor subunit beta-4	Rattus norvegicus (Norway rat)	EC50 (µMol)	30.0000	0.0000	1.0101	10.0000	AID729075
Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)	EC50 (µMol)	0.0120	0.0000	1.5172	9.4000	AID1053297; AID1171293; AID1240826; AID658724; AID729078
Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)	EC50 (µMol)	0.0120	0.0000	1.6186	9.4000	AID1053297; AID1171293; AID1240826; AID658724; AID729078
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
response to hypoxia	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
monoatomic ion transport	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
calcium ion transport	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
smooth muscle contraction	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
signal transduction	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
synaptic transmission, cholinergic	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
visual perception	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
sensory perception of sound	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
learning	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
memory	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
locomotory behavior	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
associative learning	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
visual learning	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of dopamine secretion	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
sensory perception of pain	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
vestibulocochlear nerve development	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
optic nerve morphogenesis	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
lateral geniculate nucleus development	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
central nervous system projection neuron axonogenesis	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
positive regulation of B cell proliferation	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of synaptic transmission, dopaminergic	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
positive regulation of dopamine secretion	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
monoatomic ion transmembrane transport	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
response to nicotine	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
behavioral response to nicotine	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
social behavior	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of dopamine metabolic process	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
B cell activation	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
response to cocaine	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of circadian sleep/wake cycle, REM sleep	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
response to ethanol	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
negative regulation of action potential	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of dendrite morphogenesis	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
nervous system process	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
cognition	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
membrane depolarization	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
regulation of synapse assembly	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
excitatory postsynaptic potential	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
synaptic transmission involved in micturition	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
acetylcholine receptor signaling pathway	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
response to acetylcholine	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
chemical synaptic transmission	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
action potential	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
response to hypoxia	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
DNA repair	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
monoatomic ion transport	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
calcium ion transport	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
response to oxidative stress	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
signal transduction	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
chemical synaptic transmission	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
synaptic transmission, cholinergic	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
regulation of dopamine secretion	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
sensory perception of pain	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
monoatomic ion transmembrane transport	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
response to nicotine	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
behavioral response to nicotine	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
B cell activation	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
regulation of membrane potential	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
nervous system process	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
cognition	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
membrane depolarization	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
excitatory postsynaptic potential	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
inhibitory postsynaptic potential	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
acetylcholine receptor signaling pathway	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
protein binding	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
ligand-gated monoatomic ion channel activity	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
acetylcholine receptor activity	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
acetylcholine-gated monoatomic cation-selective channel activity	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
acetylcholine binding	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
protein-containing complex binding	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
quaternary ammonium group binding	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
heterocyclic compound binding	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
protein binding	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
ligand-gated monoatomic ion channel activity	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
acetylcholine receptor activity	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
acetylcholine-gated monoatomic cation-selective channel activity	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
acetylcholine binding	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
plasma membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
external side of plasma membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
presynaptic membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
plasma membrane raft	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
cholinergic synapse	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
postsynaptic specialization membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
acetylcholine-gated channel complex	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
neuron projection	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
synapse	Neuronal acetylcholine receptor subunit beta-2	Homo sapiens (human)
plasma membrane	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
external side of plasma membrane	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
membrane	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
dendrite	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
neuronal cell body	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
postsynaptic membrane	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
acetylcholine-gated channel complex	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
synapse	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
neuron projection	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
plasma membrane	Neuronal acetylcholine receptor subunit alpha-4	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (70)

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1053292	Antagonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exposure by liquid scintillation counting	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1053302	Displacement of [3H]epibatidine from rat alpha4beta4 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID658729	Agonist activity at human alpha1beta1gammadelta nAChR expressed in TE671/RD cells at 10 uM by 86Rb+ flux assay	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID658731	Agonist activity at alpha3beta4alpha5beta2 in human SH-SY5Y cells at 10 uM by 86Rb+ flux assay	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1053296	Agonist activity at human alpha4beta2 nAChR assessed as stimulation of [86Rb+] efflux after 2 mins by cell-based liquid scintillation counting relative to nicotine	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171288	Displacement of [3H]epibatidine from rat forebrain alpha3beta4 nAChR by competition binding assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID1053293	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as stimulation of [86Rb+] efflux after 2 mins by liquid scintillation counting relative to nicotine	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171290	Displacement of [3H]epibatidine from rat forebrain alpha4beta2* nAChR by competition binding assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID729074	Agonist activity at rat alpha3beta4 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis relative to nicotine	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053295	Antagonist activity at human alpha4beta2 nAChR assessed as inhibition of nicotine-induced [86Rb+] efflux preincubated for 10 mins before nicotine exposure by cell-based liquid scintillation counting	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID658732	Antagonist activity at alpha3beta4alpha5beta2 in human SH-SY5Y cells at 10 uM by 86Rb+ flux assay	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729080	Selectivity ratio of Ki for rat alpha3beta4 nACHR to rat alpha4beta2 nACHR	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1171294	Agonist activity at high-sensitivity human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay relative to control	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID658721	Displacement of [3H] epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells by liquid scintillation counting	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729077	Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis relative to nicotine	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053287	Fraction unbound in rat plasma at 5 uM after 4 hrs by equilibrium dialysis method	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1240827	Agonist activity at human alpha3beta4 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay relative to acetylcholine	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed as α4β2-Nicotinic Acetylcholine Receptor Agonists.
AID1240825	Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay relative to acetylcholine	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed as α4β2-Nicotinic Acetylcholine Receptor Agonists.
AID729078	Agonist activity at human alpha4beta2 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID729081	Displacement of [3H]-Epibatidine from rat nACHR fore-brain by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053299	Selectivity ratio of Ki for rat alpha3beta4 nAChR expressed in HEK293 cells to Ki for human alpha4beta2 nAChR	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID729085	Displacement of [3H]-Epibatidine from rat alpha3beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID729083	Displacement of [3H]-Epibatidine from rat alpha4beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053305	Displacement of [3H]epibatidine from rat alpha3beta2 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171310	Antagonist activity at human alpha3beta4* expressed in SH-SY5Y cells at 10 uM by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID1179361	Ex-vivo binding affinity to alpha4beta2* nAChR in mouse assessed as receptor occupancy by measuring dissociation half life	2014	Journal of medicinal chemistry, Oct-23, Volume: 57, Issue:20	Recent developments in novel antidepressants targeting α4β2-nicotinic acetylcholine receptors.
AID1053297	Agonist activity at human alpha4beta2 nAChR assessed as stimulation of [86Rb+] efflux after 2 mins by cell-based liquid scintillation counting	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1053294	Agonist activity at rat alpha3beta4 nAChR expressed in HEK293 cells assessed as stimulation of [86Rb+] efflux after 2 mins by liquid scintillation counting	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID658719	Selectivity ratio of Ki for rat alpha3beta4 to Ki for rat alpha4beta2	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1053301	Displacement of [3H]epibatidine from rat alpha7 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171299	Agonist activity at human alpha1beta1gammadelta expressed in TE671/RD cells at 10 uM by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID1240832	Agonist activity at human alpha4beta2 nAChR in (alpha4)3(beta2)2 stoichiometry form relative to control	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed as α4β2-Nicotinic Acetylcholine Receptor Agonists.
AID658726	Partial agonist activity at human high sensitive alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux by flip-plate technique relative to sazetidine-A	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729084	Displacement of [3H]-Epibatidine from rat alpha4beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID658908	Drug uptake in BALB/cJ mouse brain at 1 mg/kg after 15 mins	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729088	Displacement of [3H]-Epibatidine from rat alpha2beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID658720	Displacement of [3H] epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells by liquid scintillation counting	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID658730	Antagonist activity at human alpha1beta1gammadelta nAChR expressed in TE671/RD cells at 10 uM by 86Rb+ flux assay	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1171311	Antagonist activity at human alpha1beta1gammadelta expressed in TE671/RD cells at 10 uM by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID1171298	Agonist activity at human alpha3beta4* expressed in SH-SY5Y cells at 10 uM by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID658727	Antagonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincubated for 10 mins prior to carbamylcholine-induction measured after 5 mins by flip-plate technique	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729086	Displacement of [3H]-Epibatidine from rat alpha3beta2 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053306	Displacement of [3H]epibatidine from rat alpha2beta4 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171289	Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nAChR by competition binding assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID658722	Displacement of [3H] epibatidine from rat alpha4beta2* nAChR in rat forebrain by liquid scintillation counting	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1053303	Displacement of [3H]epibatidine from human alpha4beta2 nAChR after 4 hrs by cell-based assay	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID729087	Displacement of [3H]-Epibatidine from rat alpha2beta4 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053304	Displacement of [3H]epibatidine from rat alpha3beta4 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1053300	Displacement of [3H]epibatidine from nAChR in rat forebrain	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171292	Selectivity ratio of Ki for rat forebrain alpha3beta4 nAChR to rat forebrain alpha4beta2 nAChR	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID658725	Agonist activity at human high sensitive and low sensitive alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux by flip-plate technique relative to sazetidine-A	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID729075	Agonist activity at rat alpha3beta4 nACHR expressed in HEK293 cells assessed as stimulation of 86Rb+ efflux after 2 hrs by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID729079	Selectivity ratio of Ki for rat alpha7 nACHR to rat alpha4beta2 nACHR	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID658724	Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells assessed as 86Rb+ ion efflux after 9.5 mins by flip-plate technique	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1240826	Agonist activity at human alpha4beta2 nAChR expressed in rat GH4C1 cells assessed as induction of peak current amplitude at holding potential of -70 mV by whole-cell patch clamp assay	2015	Journal of medicinal chemistry, Aug-27, Volume: 58, Issue:16	Chemistry and Pharmacology of a Series of Unichiral Analogues of 2-(2-Pyrrolidinyl)-1,4-benzodioxane, Prolinol Phenyl Ether, and Prolinol 3-Pyridyl Ether Designed as α4β2-Nicotinic Acetylcholine Receptor Agonists.
AID658909	Drug uptake in BALB/cJ mouse brain at 3 mg/kg after 15 mins	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
AID1053286	Fraction unbound in rat brain homogenate at 5 uM after 4 hrs equilibrium dialysis method	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID1171293	Agonist activity at human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID729076	Desensitization of human alpha4beta2 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2 hrs by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1053307	Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells after 4 hrs	2013	Journal of medicinal chemistry, Nov-14, Volume: 56, Issue:21	Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.
AID729082	Displacement of [3H]-Epibatidine from rat alpha7 nACHR expressed in HEK293 cell membranes by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID1171296	Inactivation of human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID1171297	Inactivation of human alpha4beta2 nAChR expressed in SH-EP1 cells by [86Rb+] ion efflux assay relative to control	2014	ACS medicinal chemistry letters, Nov-13, Volume: 5, Issue:11	Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selective α4β2-nAChR Ligands.
AID729072	Desensitization of rat alpha3beta4 nACHR expressed in HEK293 cells assessed as inhibition of 86Rb+ efflux preincubated for 10 mins measured after 2 hrs by liquid scintillation counting analysis	2013	Journal of medicinal chemistry, Apr-11, Volume: 56, Issue:7	Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selective α4β2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.
AID658728	Antagonist activity at human high sensitive and low sensitive alpha4beta2 nAChR expressed in SH-EP1 cells assessed as inhibition of carbamylcholine induced 86Rb+ ion efflux preincubated for 10 mins prior to carbamylcholine-induction measured after 5 mins	2012	Journal of medicinal chemistry, Jan-26, Volume: 55, Issue:2	Chemistry and behavioral studies identify chiral cyclopropanes as selective α4β2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile.
[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	3 (6.67)	29.6817
2010's	39 (86.67)	24.3611
2020's	3 (6.67)	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	2 (4.44%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	43 (95.56%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
carbamates [no description available]	3.17	1	amino-acid anion
bupropion Bupropion: A propiophenone-derived antidepressant and antismoking agent that inhibits the uptake of DOPAMINE.. bupropion : An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring.	3.19	1	aromatic ketone; monochlorobenzenes; secondary amino compound	antidepressant; environmental contaminant; xenobiotic
cytosine [no description available]	2.11	1	aminopyrimidine; pyrimidine nucleobase; pyrimidone	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	2.08	1	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.13	1	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
mecamylamine Mecamylamine: A nicotinic antagonist that is well absorbed from the gastrointestinal tract and crosses the blood-brain barrier. Mecamylamine has been used as a ganglionic blocker in treating hypertension, but, like most ganglionic blockers, is more often used now as a research tool.	2.48	2	primary aliphatic amine
pentobarbital Pentobarbital: A short-acting barbiturate that is effective as a sedative and hypnotic (but not as an anti-anxiety) agent and is usually given orally. It is prescribed more frequently for sleep induction than for sedation but, like similar agents, may lose its effectiveness by the second week of continued administration. (From AMA Drug Evaluations Annual, 1994, p236). pentobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups.	2.13	1	barbiturates	GABAA receptor agonist
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	2.08	1	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	2.05	1	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
quinoxalines quinoxaline : A naphthyridine in which the nitrogens are at positions 1 and 4.	3.58	8	mancude organic heterobicyclic parent; naphthyridine; ortho-fused heteroarene
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	2.49	2	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
cytisine [no description available]	3.6	2	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
alpha-aminopyridine alpha-aminopyridine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #485. aminopyridine : Compounds containing a pyridine skeleton substituted by one or more amine groups.	2.05	1
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	2.21	1	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
dihydro-beta-erythroidine Dihydro-beta-Erythroidine: Dihydro analog of beta-erythroidine, which is isolated from the seeds and other plant parts of Erythrina sp. Leguminosae. It is an alkaloid with curarimimetic properties.. dihydro-beta-erythroidine : An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene.	3.9	3	delta-lactone; organic heterotetracyclic compound; tertiary amino compound	nicotinic antagonist
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	4.4	19	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
epibatidine epibatidine: a powerful, though toxic, pain killer produced by the poison arrow frog, Epipedobates tricolor; structure given in first source; more potent than morphine but acts at nicotine rather than opiate receptors	2.46	2
methyllycaconitine methyllycaconitine: natural toxin from seeds of Delphinium brownii; parasympathomimetic and mild nicotine antagonist; antagonist of alpha-conotoxin-MII sensitive presynaptic nicotinic receptors; potent insecticide; RN refers to (1alpha,4(S),6beta,14alpha,16beta)-isomer	2.07	1
varenicline Varenicline: A benzazepine derivative that functions as an ALPHA4-BETA2 NICOTINIC RECEPTOR partial agonist. It is used for SMOKING CESSATION.. varenicline : An organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking.	5.2	14
pnu 120596 1-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylisoxazol-3-yl)urea: an alpha7nAChR agonist; structure in first source	2.11	1	ureas
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	2.21	1	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
naloxone Naloxone: A specific opiate antagonist that has no agonist activity. It is a competitive antagonist at mu, delta, and kappa opioid receptors.. naloxone : A synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, and the methyl group attached to the nitrogen has been replaced by an allyl group. A specific opioid antagonist, it is used (commonly as its hydrochloride salt) to reverse the effects of opioids, both following their use of opioids during surgery and in cases of known or suspected opioid overdose.	2.04	1	morphinane alkaloid; organic heteropentacyclic compound; tertiary alcohol	antidote to opioid poisoning; central nervous system depressant; mu-opioid receptor antagonist
a 85380 A 85380: structure given in first source; A-85380 is the S-enantiomer; A-159470 is the R-enantiomer	3.19	1
naltrexone Naltrexone: Derivative of noroxymorphone that is the N-cyclopropylmethyl congener of NALOXONE. It is a narcotic antagonist that is effective orally, longer lasting and more potent than naloxone, and has been proposed for the treatment of heroin addiction. The FDA has approved naltrexone for the treatment of alcohol dependence.. naltrexone : An organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor antagonist, it is used to treat alcohol dependence.	2.05	1	cyclopropanes; morphinane-like compound; organic heteropentacyclic compound	antidote to opioid poisoning; central nervous system depressant; environmental contaminant; mu-opioid receptor antagonist; xenobiotic
dextromethorphan Dextromethorphan: Methyl analog of DEXTRORPHAN that shows high affinity binding to several regions of the brain, including the medullary cough center. This compound is an NMDA receptor antagonist (RECEPTORS, N-METHYL-D-ASPARTATE) and acts as a non-competitive channel blocker. It is one of the widely used ANTITUSSIVES, and is also used to study the involvement of glutamate receptors in neurotoxicity.. dextromethorphan : A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug of dextrorphan and used as an antitussive drug for suppressing cough.	7.17	1	6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene	antitussive; environmental contaminant; neurotoxin; NMDA receptor antagonist; oneirogen; prodrug; xenobiotic
dizocilpine maleate Dizocilpine Maleate: A potent noncompetitive antagonist of the NMDA receptor (RECEPTORS, N-METHYL-D-ASPARTATE) used mainly as a research tool. The drug has been considered for the wide variety of neurodegenerative conditions or disorders in which NMDA receptors may play an important role. Its use has been primarily limited to animal and tissue experiments because of its psychotropic effects.. dizocilpine maleate : A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid.	2.06	1	maleate salt; tetracyclic antidepressant	anaesthetic; anticonvulsant; neuroprotective agent; nicotinic antagonist; NMDA receptor antagonist
5-ia-85380 [no description available]	3.19	1	aromatic ether
rwj-333369 S-2-O-carbamoyl-1-o-chlorophenyl-ethanol: neuromodulator/Antiepileptic Agent; structure in first source	3.17	1	organochlorine compound
pnu-282987 [no description available]	3.19	1	carbonyl compound; organohalogen compound
ispronicline ispronicline: a neuronal nicotinic acetylcholine receptor modulator; has antidepressant, neuroprotective, and cognitive effects; structure in first source	3.19	1
n,n'-dodecane-1,12-diyl-bis-3-picolinium dibromide N,N'-dodecane-1,12-diyl-bis-3-picolinium dibromide: may selectively block nicotinic acetylcholine receptors involved in regulating dopamine release; structure in first source	2.11	1
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.8	3
pnu-282987 [no description available]	2.11	1
scopolamine hydrobromide [no description available]	2.48	2
ns 9283 3-(3-(pyridine-3-yl)-1,2,4-oxadiazol-5-yl)benzonitrile: an alpha4beta2 nAChR agonist	2.8	3
piperidines Piperidines: A family of hexahydropyridines.	3.17	1
aconitine Aconitine: A C19 norditerpenoid alkaloid (DITERPENES) from the root of ACONITUM; DELPHINIUM and larkspurs. It activates VOLTAGE-GATED SODIUM CHANNELS. It has been used to induce ARRHYTHMIAS in experimental animals and it has anti-inflammatory and anti-neuralgic properties.. aconitine : A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively.	2.07	1
tc 2559 TC 2559: an orally active ligand selective at neuronal acetylcholine receptors; structure in first source	2.13	1

Condition	Relationship Strength	Studies
Alcohol Drinking Behaviors associated with the ingesting of ALCOHOLIC BEVERAGES, including social drinking.	2.52	2
Depression Depressive states usually of moderate intensity in contrast with MAJOR DEPRESSIVE DISORDER present in neurotic and psychotic disorders.	3.39	2
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	4.11	5
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
Binge Alcohol Consumption [description not available]	2.31	1
Alcohol Abuse [description not available]	3.46	2
Alcoholism A primary, chronic disease with genetic, psychosocial, and environmental factors influencing its development and manifestations. The disease is often progressive and fatal. It is characterized by impaired control over drinking, preoccupation with the drug alcohol, use of alcohol despite adverse consequences, and distortions in thinking, most notably denial. Each of these symptoms may be continuous or periodic. (Morse & Flavin for the Joint Commission of the National Council on Alcoholism and Drug Dependence and the American Society of Addiction Medicine to Study the Definition and Criteria for the Diagnosis of Alcoholism: in JAMA 1992;268:1012-4)	3.46	2
Drug Withdrawal Symptoms [description not available]	2.8	3
Nicotine Addiction [description not available]	2.53	2
Substance Withdrawal Syndrome Physiological and psychological symptoms associated with withdrawal from the use of a drug after prolonged administration or habituation. The concept includes withdrawal from smoking or drinking, as well as withdrawal from an administered drug.	2.8	3
Tobacco Use Disorder Tobacco used to the detriment of a person's health or social functioning. Tobacco dependence is included.	2.53	2
Acute Post-Traumatic Stress Disorder [description not available]	2.17	1
Anxiety Feelings or emotions of dread, apprehension, and impending disaster but not disabling as with ANXIETY DISORDERS.	3.01	4
Stress Disorders, Post-Traumatic A class of traumatic stress disorders with symptoms that last more than one month.	2.17	1
Amphetamine Abuse [description not available]	2.21	1
Cocaine Abuse [description not available]	2.21	1
Amphetamine-Related Disorders Disorders related or resulting from use of amphetamines.	2.21	1
Cocaine-Related Disorders Disorders related or resulting from use of cocaine.	2.21	1
Smoking Cessation Discontinuing the habit of SMOKING.	2.48	2
Weight Gain Increase in BODY WEIGHT over existing weight.	7.1	1
Hypothermia, Accidental [description not available]	2.13	1
Hypothermia Lower than normal body temperature, especially in warm-blooded animals.	2.13	1
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.13	1
Ache [description not available]	2.46	2
Pain An unpleasant sensation induced by noxious stimuli which are detected by NERVE ENDINGS of NOCICEPTIVE NEURONS.	7.46	2
Affective Disorders [description not available]	2.05	1
Mood Disorders Those disorders that have a disturbance in mood as their predominant feature.	2.05	1
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	2.07	1
ADDH [description not available]	2.08	1
Attention Deficit Disorder with Hyperactivity A behavior disorder originating in childhood in which the essential features are signs of developmentally inappropriate inattention, impulsivity, and hyperactivity. Although most individuals have symptoms of both inattention and hyperactivity-impulsivity, one or the other pattern may be predominant. The disorder is more frequent in males than females. Onset is in childhood. Symptoms often attenuate during late adolescence although a minority experience the full complement of symptoms into mid-adulthood. (From DSM-V)	2.08	1

sazetidine-a

Description

Cross-References

Synonyms (14)

Research Excerpts

Bioavailability

Dosage Studied

Protein Targets (12)

Inhibition Measurements

Activation Measurements

Biological Processes (47)

Molecular Functions (8)

Ceullar Components (13)

Bioassays (70)

Research

Studies (45)

Market Indicators

Research Demand Index: 20.62

Study Types

sazetidine-a

Description

Cross-References

Synonyms (14)

Research Excerpts

Bioavailability

Dosage Studied

Protein Targets (12)

Inhibition Measurements

Activation Measurements

Biological Processes (47)

Molecular Functions (8)

Ceullar Components (13)

Bioassays (70)

Research

Studies (45)

Market Indicators

Research Demand Index: 20.62

Study Types

Related Drugs (38)

Related Conditions (31)