Page last updated: 2024-11-07

ly 134046

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Description

LY 134046: RN given refers to parent cpd; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID121938
CHEMBL ID38681
SCHEMBL ID476330
MeSH IDM0091920

Synonyms (25)

Synonym
8,9-dichloro-2,3,4,5-tetrahydro-1h-[2]benzazepine
ly-134046
8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo[c]azepine
1N7I ,
DB04273
tetrahydrobenzazepine (thba) deriv.
8,9-dichloro-2,3,4,5-tetrahydro-1h-2-benzazepine
chembl38681 ,
bdbm14061
ly134046
ly 134046
71274-97-0
8,9-dichloro-2,3,4,5-tetrahydro-1h-2-benzazepine hydrochloride
lilly 134046
1h-2-benzazepine, 8,9-dichloro-2,3,4,5-tetrahydro-
unii-2k2ue2i8ay
2k2ue2i8ay ,
gtpl6631
AKOS023600776
SCHEMBL476330
skf-81981
8,9-dichloro-2,3,4,5-tetrahydro-1h-benzo(c)azepine
DTXSID60991581
Q27082515
8,9-dichloro-2,3,4,5-tetrahydro-1h-2-benzazepine;hydrochloride
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (8)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Phenylethanolamine N-methyltransferaseHomo sapiens (human)Ki0.26000.26000.26000.2600AID977610
Chain A, Phenylethanolamine N-methyltransferaseHomo sapiens (human)Ki0.26000.26000.26000.2600AID977610
Phenylethanolamine N-methyltransferaseBos taurus (cattle)Ki543,127,128,356.78850.00312.329310.0000AID155137; AID155146; AID155306; AID155308; AID156051; AID156064; AID1797148
Phenylethanolamine N-methyltransferaseHomo sapiens (human)Ki546.82710.00161.35296.9000AID155320; AID239072; AID282848; AID282849; AID282850; AID282851; AID282852
Alpha-2B adrenergic receptorRattus norvegicus (Norway rat)Ki30,683,875,331.93750.00000.929610.0000AID35193; AID35395; AID37094; AID37366
Alpha-2C adrenergic receptorRattus norvegicus (Norway rat)Ki30,683,875,331.93750.00000.970810.0000AID35193; AID35395; AID37094; AID37366
Alpha-2A adrenergic receptorRattus norvegicus (Norway rat)Ki24,547,100,266.45000.00000.937510.0000AID1797149; AID219806; AID35193; AID35395; AID37094; AID37366
Purine nucleoside phosphorylase Bos taurus (cattle)Ki0.26000.00000.53072.7000AID156051
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (4)

Processvia Protein(s)Taxonomy
methylationPhenylethanolamine N-methyltransferaseBos taurus (cattle)
epinephrine biosynthetic processPhenylethanolamine N-methyltransferaseBos taurus (cattle)
methylationPhenylethanolamine N-methyltransferaseHomo sapiens (human)
epinephrine biosynthetic processPhenylethanolamine N-methyltransferaseHomo sapiens (human)
catecholamine biosynthetic processPhenylethanolamine N-methyltransferaseHomo sapiens (human)
purine ribonucleoside salvagePurine nucleoside phosphorylase Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (4)

Processvia Protein(s)Taxonomy
phenylethanolamine N-methyltransferase activityPhenylethanolamine N-methyltransferaseBos taurus (cattle)
phenylethanolamine N-methyltransferase activityPhenylethanolamine N-methyltransferaseHomo sapiens (human)
protein bindingPhenylethanolamine N-methyltransferaseHomo sapiens (human)
purine-nucleoside phosphorylase activityPurine nucleoside phosphorylase Bos taurus (cattle)
guanosine phosphorylase activityPurine nucleoside phosphorylase Bos taurus (cattle)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Processvia Protein(s)Taxonomy
cytosolPhenylethanolamine N-methyltransferaseHomo sapiens (human)
cytosolPhenylethanolamine N-methyltransferaseHomo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (29)

Assay IDTitleYearJournalArticle
AID35216Ratio for binding affinity towards alpha-2 adrenoceptor to PNMT1999Journal of medicinal chemistry, Sep-09, Volume: 42, Issue:18
Synthesis and biochemical evaluation of 3-fluoromethyl-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID155337Ki ratio of human versus bovine phenylethanolamine N-methyl-transferase2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
AID282849Binding affinity to human PNMT V53A mutant2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.
AID234631Selectivity ratio (alpha2/PNMT)2001Journal of medicinal chemistry, Aug-16, Volume: 44, Issue:17
Synthesis and evaluation of 4-fluoro-8-substituted-2,3,4,5-tetrahydro-1H-2-benzazapines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID35193The compound was tested in vitro for binding affinity against Alpha-2 adrenergic receptor using [3H]clonidine1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
Synthesis and evaluation of 3-trifluoromethyl-7-substituted-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID156051Ability to inhibit phenylethanolamine N-methyl-transferase (PNMT)2001Journal of medicinal chemistry, Aug-16, Volume: 44, Issue:17
Synthesis and evaluation of 4-fluoro-8-substituted-2,3,4,5-tetrahydro-1H-2-benzazapines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID156064Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)1999Bioorganic & medicinal chemistry letters, Feb-08, Volume: 9, Issue:3
Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha2-adrenoceptor: the development of new, highly selective inhibitors of PNMT.
AID155320Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
AID155306Inhibitory constant against bovine phenylethanolamine N-methyl-transferase2001Bioorganic & medicinal chemistry letters, Jun-18, Volume: 11, Issue:12
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.
AID219806Inhibitory potency against alpha-2-adrenoceptor2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID16300Calculated partition coefficient (clogP)2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID282848Binding affinity to human wild type his-tagged PNMT2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.
AID37366Compound was tested in vitro for its affinity towards rat Alpha-2 adrenergic receptor1999Journal of medicinal chemistry, Sep-09, Volume: 42, Issue:18
Synthesis and biochemical evaluation of 3-fluoromethyl-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID155137Affinity for bovine Phenylethanolamine N-Methyltransferase (PNMT)1999Journal of medicinal chemistry, Sep-09, Volume: 42, Issue:18
Synthesis and biochemical evaluation of 3-fluoromethyl-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID35395Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor1999Bioorganic & medicinal chemistry letters, Feb-08, Volume: 9, Issue:3
Comparative molecular field analysis (CoMFA) models of phenylethanolamine N-methyltransferase (PNMT) and the alpha2-adrenoceptor: the development of new, highly selective inhibitors of PNMT.
AID282851Binding affinity to human PNMT E219A mutant2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.
AID233871Selectivity expressed as the ratio of Ki of alpha-2-adrenoceptor to that of PNMT2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID35335Selectivity determined by Ki of alpha 2 receptor / Ki of PNMT1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
Synthesis and evaluation of 3-trifluoromethyl-7-substituted-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID239072Inhibitory binding affinity for phenylethanolamine N-methyl-transferase (PNMT)2004Bioorganic & medicinal chemistry letters, Aug-16, Volume: 14, Issue:16
Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data.
AID282852Binding affinity to human PNMT D267A mutant2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.
AID155146Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro 1999Journal of medicinal chemistry, Aug-26, Volume: 42, Issue:17
Synthesis and evaluation of 3-trifluoromethyl-7-substituted-1,2,3, 4-tetrahydroisoquinolines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID37094Binding affinity to alpha-2 adrenergic receptor by displacement of [3H]clonidine2001Journal of medicinal chemistry, Aug-16, Volume: 44, Issue:17
Synthesis and evaluation of 4-fluoro-8-substituted-2,3,4,5-tetrahydro-1H-2-benzazapines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor.
AID282850Binding affinity to human PNMT K57A mutant2005Journal of medicinal chemistry, Nov-17, Volume: 48, Issue:23
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.
AID155308Inhibitory potency against bovine phenylethanolamine N-Methyltransferase (PNMT)2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID1811Experimentally measured binding affinity data derived from PDB2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID977610Experimentally measured binding affinity data (Ki) for protein-ligand complexes derived from PDB2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID1797149alpha-Adrenoceptor Radioligand Binding Assay from Article 10.1021/jm0205752: \\Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.\\2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID1797148Radiochemical Assay for PNMT Activity from Article 10.1021/jm0205752: \\Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.\\2004Journal of medicinal chemistry, Jan-01, Volume: 47, Issue:1
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.
AID1345967Human Phenylethanolamine N-methyltransferase (Catecholamine turnover)1981Biochemical pharmacology, Jun-01, Volume: 30, Issue:11
Properties of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine, an inhibitor of norepinephrine N-methyltransferase.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (30)

TimeframeStudies, This Drug (%)All Drugs %
pre-199014 (46.67)18.7374
1990's10 (33.33)18.2507
2000's6 (20.00)29.6817
2010's0 (0.00)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: 10.74

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 Index10.74 (24.57)
Research Supply Index3.47 (2.92)
Research Growth Index4.21 (4.65)
Search Engine Demand Index0.00 (26.88)
Search Engine Supply Index0.00 (0.95)

This Compound (10.74)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other31 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]