Compounds > mrs 1097
Page last updated: 2024-11-12

mrs 1097

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

Cross-References

ID SourceID
PubMed CID9953766
CHEMBL ID315984
CHEMBL ID3770003
SCHEMBL ID13932305
MeSH IDM0264308

Synonyms (11)

Synonym
CHEMBL315984 ,
3,5-diethyl 2-methyl-6-phenyl-4-[(e)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
gtpl467
diethyl 2-methyl-6-phenyl-4-[(e)-2-phenylethenyl]-1,4-dihydropyridine-3,5-dicarboxylate
mrs1097
SCHEMBL13932305
CHEMBL3770003 ,
bdbm50148600
Q27087754
185259-16-9
AKOS040748963
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (5)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Adenosine receptor A3Homo sapiens (human)Ki0.10850.00000.930610.0000AID34125; AID34564; AID34862; AID34872
Transmembrane domain-containing protein TMIGD3Homo sapiens (human)Ki0.10800.01600.04770.1080AID1280102
Adenosine receptor A1Rattus norvegicus (Norway rat)Ki5.93000.00011.20929.9700AID32336; AID32341
Adenosine receptor A3Rattus norvegicus (Norway rat)Ki4.16000.00030.91969.0000AID33356
Adenosine receptor A2aRattus norvegicus (Norway rat)Ki4.77000.00021.494010.0000AID32882; AID32888; AID33788; AID33793
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (11)

Processvia Protein(s)Taxonomy
inflammatory responseAdenosine receptor A3Homo sapiens (human)
signal transductionAdenosine receptor A3Homo sapiens (human)
activation of adenylate cyclase activityAdenosine receptor A3Homo sapiens (human)
regulation of heart contractionAdenosine receptor A3Homo sapiens (human)
negative regulation of cell population proliferationAdenosine receptor A3Homo sapiens (human)
response to woundingAdenosine receptor A3Homo sapiens (human)
regulation of norepinephrine secretionAdenosine receptor A3Homo sapiens (human)
negative regulation of cell migrationAdenosine receptor A3Homo sapiens (human)
negative regulation of NF-kappaB transcription factor activityAdenosine receptor A3Homo sapiens (human)
presynaptic modulation of chemical synaptic transmissionAdenosine receptor A3Homo sapiens (human)
G protein-coupled adenosine receptor signaling pathwayAdenosine receptor A3Homo sapiens (human)
inflammatory responseTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
signal transductionTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
activation of adenylate cyclase activityTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
regulation of heart contractionTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
negative regulation of cell population proliferationTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
response to woundingTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
negative regulation of cell migrationTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
negative regulation of NF-kappaB transcription factor activityTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Processvia Protein(s)Taxonomy
G protein-coupled adenosine receptor activityAdenosine receptor A3Homo sapiens (human)
transmembrane signaling receptor activityTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
G protein-coupled adenosine receptor activityAdenosine receptor A2aRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (7)

Processvia Protein(s)Taxonomy
plasma membraneAdenosine receptor A3Homo sapiens (human)
presynaptic membraneAdenosine receptor A3Homo sapiens (human)
Schaffer collateral - CA1 synapseAdenosine receptor A3Homo sapiens (human)
dendriteAdenosine receptor A3Homo sapiens (human)
plasma membraneAdenosine receptor A3Homo sapiens (human)
synapseAdenosine receptor A3Homo sapiens (human)
membraneTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
plasma membraneTransmembrane domain-containing protein TMIGD3Homo sapiens (human)
Golgi membraneAdenosine receptor A2aRattus norvegicus (Norway rat)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (26)

Assay IDTitleYearJournalArticle
AID1345822Human A3 receptor (Adenosine receptors)1997Neuropharmacology, Sep, Volume: 36, Issue:9
Pharmacological characterization of novel A3 adenosine receptor-selective antagonists.
AID1345822Human A3 receptor (Adenosine receptors)1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID34862Displacement of [125 I]AB-MECA from Adenosine A3 receptor expressed in HEK cells1999Journal of medicinal chemistry, Aug-12, Volume: 42, Issue:16
Chiral resolution and stereospecificity of 6-phenyl-4-phenylethynyl- 1,4-dihydropyridines as selective A(3) adenosine receptor antagonists.
AID34564Displacement of [125]AB-MECA binding to human Adenosine A3 receptor expressed in HEK cells1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID32341Displacement of specific [3H](R)-PIA binding at adenosine A1 receptor from rat brain membranes.1997Journal of medicinal chemistry, Aug-01, Volume: 40, Issue:16
Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists.
AID233441Selectivity ratio measured as the Ki value of rat A1 receptor to that of hA3 receptor.1997Journal of medicinal chemistry, Aug-01, Volume: 40, Issue:16
Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists.
AID33793Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor of rat striatal membrane1996Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23
6-phenyl-1,4-dihydropyridine derivatives as potent and selective A3 adenosine receptor antagonists.
AID33788Displacement of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID232704Selectivity ratio of Ki for rat A1 and A3 adenosine receptor1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID232706Selectivity ratio of Ki for rat A3 and human A3 adenosine receptors1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID33035Binding affinity towards adenosine A2A receptor by measuring its ability to displace [3H]-CGS- 21680 in rat striatal membranes at a concentration of 10e-4 M1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists.
AID232705Selectivity ratio of Ki for rat A2A and A3 adenosine receptors1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID31706Displacement of [3H](R)-PIA binding to Adenosine A1 receptor in rat brain membranes1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID32882Displacement of [3H]CGS-21680 from Adenosine A2A receptor of rat striatal membrane at 10e-4 uM1999Journal of medicinal chemistry, Aug-12, Volume: 42, Issue:16
Chiral resolution and stereospecificity of 6-phenyl-4-phenylethynyl- 1,4-dihydropyridines as selective A(3) adenosine receptor antagonists.
AID33356Binding affinity against rat Adenosine A3 receptor from CHO cells1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID32888Displacement of specific [3H]-CGS- 21680 binding at Adenosine A2A receptor in rat striatal membranes.1997Journal of medicinal chemistry, Aug-01, Volume: 40, Issue:16
Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists.
AID34125Inhibition of [125I]- AB-MECA binding to human Adenosine A3 receptors expressed in HEK cells1996Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23
6-phenyl-1,4-dihydropyridine derivatives as potent and selective A3 adenosine receptor antagonists.
AID32018Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.1996Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23
6-phenyl-1,4-dihydropyridine derivatives as potent and selective A3 adenosine receptor antagonists.
AID232043Selectivity for binding affinity towards A1 adenosine receptor in rat brain membrane and human A3 receptor expressed in HEK cells1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists.
AID33068Binding affinity towards adenosine A3 receptor by measuring its ability to displace [125I]AB-MECA binding to membranes prepared from HEK293 cells1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists.
AID34872Displacement of specific [125I]AB-MECA binding at human adenosine A3 receptor.1997Journal of medicinal chemistry, Aug-01, Volume: 40, Issue:16
Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists.
AID232971Relative affinities for rat adenosine A1 and human adenosine A3 receptors1996Journal of medicinal chemistry, Nov-08, Volume: 39, Issue:23
6-phenyl-1,4-dihydropyridine derivatives as potent and selective A3 adenosine receptor antagonists.
AID31551Binding affinity towards adenosine A1 receptor by measuring its ability to displace [3H]-R-PIA in rat brain membranes at a concentration of 10e-4 M1998Journal of medicinal chemistry, Aug-13, Volume: 41, Issue:17
Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists.
AID95587Inhibition of [3H]isradipine binding to L-type [Ca2+] channel of rat brain membranes1996Journal of medicinal chemistry, Jul-19, Volume: 39, Issue:15
Interaction of 1,4-dihydropyridine and pyridine derivatives with adenosine receptors: selectivity for A3 receptors.
AID32336Displacement of [3H]-R-PIA from adenosine A1 receptor of rat brain membrane1999Journal of medicinal chemistry, Aug-12, Volume: 42, Issue:16
Chiral resolution and stereospecificity of 6-phenyl-4-phenylethynyl- 1,4-dihydropyridines as selective A(3) adenosine receptor antagonists.
AID1280102Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cells2016Journal of medicinal chemistry, Feb-11, Volume: 59, Issue:3
Discovery of Molecular Therapeutics for Glaucoma: Challenges, Successes, and Promising Directions.
[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's6 (85.71)18.2507
2000's0 (0.00)29.6817
2010's1 (14.29)24.3611
2020's0 (0.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 12.24

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.

MetricThis Compound (vs All)
Research Demand Index12.24 (24.57)
Research Supply Index2.08 (2.92)
Research Growth Index4.32 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (12.24)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews1 (14.29%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other6 (85.71%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
fasudil
fasudil: intracellular calcium antagonist; structure in first source. fasudil : An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.		3.2310isoquinolines;
N-sulfonyldiazepane		antihypertensive agent;
calcium channel blocker;
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor;
geroprotector;
neuroprotective agent;
nootropic agent;
vasodilator agent
nicardipine
Nicardipine: A potent calcium channel blockader with marked vasodilator action. It has antihypertensive properties and is effective in the treatment of angina and coronary spasms without showing cardiodepressant effects. It has also been used in the treatment of asthma and enhances the action of specific antineoplastic agents.. nicardipine : A racemate comprising equimolar amounts of (R)- and (S)-nicardipine. It is a calcium channel blocker which is used to treat hypertension.. 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate : A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively.		1.9910benzenes;
C-nitro compound;
diester;
dihydropyridine;
methyl ester;
tertiary amino compound
nifedipine
Nifedipine: A potent vasodilator agent with calcium antagonistic action. It is a useful anti-anginal agent that also lowers blood pressure.		2.3920C-nitro compound;
dihydropyridine;
methyl ester		calcium channel blocker;
human metabolite;
tocolytic agent;
vasodilator agent
nimodipine
Nimodipine: A calcium channel blockader with preferential cerebrovascular activity. It has marked cerebrovascular dilating effects and lowers blood pressure.. nimodipine : A dihydropyridine that is 1,4-dihydropyridine which is substituted by methyl groups at positions 2 and 6, a (2-methoxyethoxy)carbonyl group at position 3, a m-nitrophenyl group at position 4, and an isopropoxycarbonyl group at position 5. An L-type calcium channel blocker, it acts particularly on cerebral circulation, and is used both orally and intravenously for the prevention and treatment of subarachnoid hemorrhage from ruptured intracranial aneurysm.		1.99102-methoxyethyl ester;
C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
isopropyl ester		antihypertensive agent;
calcium channel blocker;
cardiovascular drug;
vasodilator agent
nitrendipine
Nitrendipine: A calcium channel blocker with marked vasodilator action. It is an effective antihypertensive agent and differs from other calcium channel blockers in that it does not reduce glomerular filtration rate and is mildly natriuretic, rather than sodium retentive.. nitrendipine : A dihydropyridine that is 1,4-dihydropyridine substituted by methyl groups at positions 2 and 6, a 3-nitrophenyl group at position 4, a ethoxycarbonyl group at position 3 and a methoxycarbonyl group at position 5. It is a calcium-channel blocker used in the treatment of hypertension.		1.9910C-nitro compound;
dicarboxylic acids and O-substituted derivatives;
diester;
dihydropyridine;
ethyl ester;
methyl ester		antihypertensive agent;
calcium channel blocker;
geroprotector;
vasodilator agent
niguldipine
[no description available]		2.6830diarylmethane
adenosine
quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit		3.2310adenosines;
purines D-ribonucleoside		analgesic;
anti-arrhythmia drug;
fundamental metabolite;
human metabolite;
vasodilator agent
phenylisopropyladenosine
[no description available]		3.5320aromatic amine;
benzenes;
hydrocarbyladenosine;
purine nucleoside;
secondary amino compound		adenosine A1 receptor agonist;
neuroprotective agent
n(6)-(3-iodobenzyl)-5'-n-methylcarboxamidoadenosine
N(6)-(3-iodobenzyl)-5'-N-methylcarboxamidoadenosine: structure given in first source; a selective A(3) adenosine receptor agonist. 3-iodobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodobenzyl group.		3.5420adenosines;
monocarboxylic acid amide;
organoiodine compound		adenosine A3 receptor agonist
2-(1-octynyl)adenosine
YT 146: an adenosine receptor agonist; structure given in first source		3.2310
zm 241385
ZM 241385: a high affinity radioligand selective for the A2a adenosine receptor		3.2310diamino-1,3,5-triazine
ngd 94-1
NGD 94-1: D(4) receptor antagonist; structure in first source		210
mrs 1067
3,6-dichloro-2'-isopropyloxy-4'-methylflavone: structure in first source		2.420
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate: structure in first source		1.9910
mrs 1191
MRS 1191: a selective A3 adenosine receptor antagonist; structure given in first source		3.0950cinnamate ester
mrs 1220
9-chloro-2-(2-furyl)-5-phenylacetylamino(1,2,4)triazolo(1,5-c)quinazoline: structure in first source		2.420quinazolines
adenosine-5'-(n-ethylcarboxamide)
Adenosine-5'-(N-ethylcarboxamide): A stable adenosine A1 and A2 receptor agonist. Experimentally, it inhibits cAMP and cGMP phosphodiesterase activity.. N-ethyl-5'-carboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.		1.9910adenosines;
monocarboxylic acid amide		adenosine A1 receptor agonist;
adenosine A2A receptor agonist;
antineoplastic agent;
EC 3.1.4.* (phosphoric diester hydrolase) inhibitor;
vasodilator agent
n(6)-cyclopentyladenosine
[no description available]		3.2310
2-chloro-n(6)-(3-iodobenzyl)adenosine-5'-n-methyluronamide
2-chloro-N(6)-(3-iodobenzyl)adenosine-5'-N-methyluronamide: structure given in first source		2.420
2-(4-(2-carboxyethyl)phenethylamino)-5'-n-ethylcarboxamidoadenosine
2-(4-(2-carboxyethyl)phenethylamino)-5'-N-ethylcarboxamidoadenosine: A2 adenosine receptor agonist; structure given in first source. CGS-21680 : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and the hydrogen at position 2 on the adenine is replaced by a 4-(2-carboxyethyl)phenethylamino group.		3.2310adenosines;
dicarboxylic acid monoamide;
monocarboxylic acid		adenosine A2A receptor agonist;
anti-inflammatory agent
mrs 1523
2,3-diethyl-4,5-dipropyl-6-phenylpyridine-3-thiocarboxylate-5-carboxylate: adenosine A3 receptor antagonist		3.5420
bay-k-8644, (-)-isomer
(S)-Bay-K-8644 : A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (S)-configuration.		2.420(trifluoromethyl)benzenes;
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
bay-k-8644
(R)-Bay-K-8644 : A methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate in which the 4-position has (R)-configuration.		2.420(trifluoromethyl)benzenes;
methyl 2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate
dexniguldipine
niguldipine: structure given in first source; clinical modulator of multidrug resistance		2.420diarylmethane
n(6)-cyclohexyladenosine
N(6)-cyclohexyladenosine: structure given in first source; receptors, purinergic P1 agonist		3.2310
ripasudil
[no description available]		3.2310isoquinolines
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine : A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group.		1.9910adenosines;
monocarboxylic acid amide;
organoiodine compound
ino-8875
INO-8875: structure in first source		3.2310
atl 313
ATL 313: A2A adenosine receptor agonist		3.2310
ConditionIndicatedRelationship StrengthStudiesTrials
Glaucoma
An ocular disease, occurring in many forms, having as its primary characteristics an unstable or a sustained increase in the intraocular pressure which the eye cannot withstand without damage to its structure or impairment of its function. The consequences of the increased pressure may be manifested in a variety of symptoms, depending upon type and severity, such as excavation of the optic disk, hardness of the eyeball, corneal anesthesia, reduced visual acuity, seeing of colored halos around lights, disturbed dark adaptation, visual field defects, and headaches. (Dictionary of Visual Science, 4th ed)		03.0410