f21 profile

Cross-References

ID Source	ID
PubMed CID	11485425
CHEMBL ID	177749
SCHEMBL ID	21067750
MeSH ID	M0232390

Synonyms (10)

Synonym
(3r)-3-(fluoromethyl)-7-(thiomorpholin-4-ylsulfonyl)-1,2,3,4-tetrahydroisoquinoline
F21 ,
DB07739
(r)-3-fluoromethyl-7-(thiomorpholine-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline
bdbm50163110
CHEMBL177749 ,
'3-fluoromethyl 7-thiomorpholinosulfonamide 1,2,3,4-tetrahydroisoquinoline'
Q27096957
SCHEMBL21067750
PD005507

Protein Targets (2)

Inhibition Measurements

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Phenylethanolamine N-methyltransferase	Homo sapiens (human)	Ki	0.6100	0.0016	1.3529	6.9000	AID239480
Alpha-2A adrenergic receptor	Rattus norvegicus (Norway rat)	Ki	200.0000	0.0000	0.9375	10.0000	AID238890
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Biological Processes (3)

Process	via Protein(s)	Taxonomy
methylation	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
epinephrine biosynthetic process	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
catecholamine biosynthetic process	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Molecular Functions (2)

Process	via Protein(s)	Taxonomy
phenylethanolamine N-methyltransferase activity	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
protein binding	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Ceullar Components (1)

Process	via Protein(s)	Taxonomy
cytosol	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
cytosol	Phenylethanolamine N-methyltransferase	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID239480	In vitro binding affinity against recombinant human Phenylethanolamine N-methyl-transferase expressed in Escherichia coli using [methyl-3H]-AdoMet	2005	Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6	Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1.
AID238890	In vitro binding affinity against rat Alpha-2 adrenergic receptor using [3H]clonidine	2005	Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6	Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1.
AID244214	Ratio of affinity for Alpha-2 adrenergic receptor to that of Phenylethanolamine N-methyl-transferase	2005	Journal of medicinal chemistry, Mar-24, Volume: 48, Issue:6	Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (7)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	5 (71.43)	18.2507
2000's	1 (14.29)	29.6817
2010's	0 (0.00)	24.3611
2020's	1 (14.29)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 65.32

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 very strong demand-to-supply ratio for research on this compound.

Metric	This Compound (vs All)
Research Demand Index	65.32 (24.57)
Research Supply Index	2.08 (2.92)
Research Growth Index	4.36 (4.65)
Search Engine Demand Index	185.63 (26.88)
Search Engine Supply Index	3.55 (0.95)

This Compound (65.32)

All Compounds (24.57)

Study Types

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

Substance	Relationship Strength	Studies	Classes	Roles
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	2.39	2	zinc molecular entity
bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.	1.98	1	diarylmethane
gadolinium Gadolinium: An element of the rare earth family of metals. It has the atomic symbol Gd, atomic number 64, and atomic weight 157.25. Its oxide is used in the control rods of some nuclear reactors.	7.25	1	f-block element atom; lanthanoid atom
c & b metabond Super-bond: an adhesive resin composed of 4-methacryloxyethyltrimellitic anhydride (4-META), methylmethacrylates (MMA) and tri-n-butylborane (TBB)	1.98	1
tin [no description available]	1.98	1	carbon group element atom; elemental tin; metal atom	micronutrient

Condition	Indicated	Relationship Strength	Studies	Trials
ACL Injuries [description not available]	0	2.25	1	0
Tooth Fractures Break or rupture of a tooth or tooth root.	0	1.98	1	0

f21